CFam Chemical Families Database
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You are searching for "CFAMM00120630" in compound.

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CFAM Mol ID CFAMM00120630
Family CFFAD1035 Thymopentin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID DNC004817 External Source TTD
PubChem CID 44388431 Functional Category Investigative Drug
Molecule Name E[c(RGDyK)]2
IUPAC Name 2-[(2R,5S,8R,11R)-8-[4-[[5-[4-[(5R,11R,14S)-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-4-(3-hydroxypropanoylamino)-5-oxopentanoyl]amino]butyl]-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Synonyms CHEBI:398912;DNC004817
InChi InChI=1S/C62H91N19O20/c63-61(64)69-24-5-9-37-53(94)71-31-48(87)74-44(29-50(89)90)59(100)80-42(27-33-11-15-35(83)16-12-33)57(98)78-39(55(96)76-37)7-1-3-22-67-46(85)20-19-41(73-47(86)21-26-82)52(93)68-23-4-2-8-40-56(97)77-38(10-6-25-70-62(65)66)54(95)72-32-49(88)75-45(30-51(91)92)60(101)81-43(58(99)79-40)28-34-13-17-36(84)18-14-34/h11-18,37-45,82-84H,1-10,19-32H2,(H,67,85)(H,68,93)(H,71,94)(H,72,95)(H,73,86)(H,74,87)(H,75,88)(H,76,96)(H,77,97)(H,78,98)(H,79,99)(H,80,100)(H,81,101)(H,89,90)(H,91,92)(H4,63,64,69)(H4,65,66,70)/t37-,38-,39-,40?,41?,42+,43+,44-,45-/m1/s1
InChiKey ACEBGKIPKRNNIW-JMIOTQLUSA-N
Formula C62H91N19O20 Molecular Weight 1422.50
Cross Link
Structure

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).
 

Last update by

 
2014.08.29
 

 

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National University of Singapore, Singapore


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