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You are searching for "CFAMM00247133" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00247133 |
Family | CFFID1696 Gonadotropin-releasing hormone receptor Ligand Azaline B Family |
Superfamily | CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily |
Class | CFCCD167 Class 980 |
External ID | CHEMBL2370814 |
External Source | CHEMBL |
PubChem CID |
73350121 |
Functional Category |
Bioactive |
Molecule Name |
(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[2-(ethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide |
IUPAC Name |
(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[2-(ethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide |
Synonyms |
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InChi |
InChI=1S/C75H108ClN23O12/c1-7-80-62(102)42-84-70(110)61-24-17-35-99(61)71(111)55(23-12-13-32-81-45(4)5)88-65(105)56(36-44(2)3)89-64(104)54(22-11-15-34-83-75-94-73(78)96-98-75)86-63(103)53(21-10-14-33-82-74-93-72(77)95-97-74)87-69(109)60(43-100)92-68(108)59(40-49-18-16-31-79-41-49)91-67(107)58(38-47-26-29-52(76)30-27-47)90-66(106)57(85-46(6)101)39-48-25-28-50-19-8-9-20-51(50)37-48/h8-9,16,18-20,25-31,37,41,44-45,53-61,81,100H,7,10-15,17,21-24,32-36,38-40,42-43H2,1-6H3,(H,80,102)(H,84,110)(H,85,101)(H,86,103)(H,87,109)(H,88,105)(H,89,104)(H,90,106)(H,91,107)(H,92,108)(H4,77,82,93,95,97)(H4,78,83,94,96,98)/t53-,54-,55-,56-,57+,58-,59+,60-,61+/m0/s1 |
InChiKey |
UAIAWSKPOHEZLS-LNELXCANSA-N |
Formula | C75H108ClN23O12 |
Molecular Weight | 1559.26 |
Cross Link | CHEMBL2370814 |
Structure |
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Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes. |
How to cite our database |
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
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Last update by |
2014.08.29
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Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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