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You are searching for "CFAMM00393235" 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 | CFAMM00393235 |
| Family | CFFBM9141 Beta-secretase 1 inhibitor (2S)-2-[(3R)-3-acetamido-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]-4-phenylbutanamide family |
| Superfamily | CFSBM212 Pol polyprotein and Beta-secretase 1 Binder Superfamily |
| Class | CFCAD607 Class 607 |
| External ID | CHEMBL419580 |
External Source | CHEMBL |
| PubChem CID |
44340347 |
Functional Category |
Bioactive |
| Molecule Name |
N-[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| IUPAC Name |
N-[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Synonyms |
CHEBI:283559 |
| InChi |
InChI=1S/C47H58N6O5/c1-29(2)41(52-44(55)39-25-33-19-11-13-21-35(33)27-48-39)46(57)50-37(23-31-15-7-5-8-16-31)43(54)38(24-32-17-9-6-10-18-32)51-47(58)42(30(3)4)53-45(56)40-26-34-20-12-14-22-36(34)28-49-40/h5-22,29-30,37-43,48-49,54H,23-28H2,1-4H3,(H,50,57)(H,51,58)(H,52,55)(H,53,56)/t37-,38-,39?,40?,41-,42+,43?/m0/s1 |
| InChiKey |
IIXQQSAAGXCYDM-UHDQTCBSSA-N |
| Formula | C47H58N6O5 |
Molecular Weight | 787.00 |
| Cross Link | CHEMBL419580 |
| 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.
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How to cite our database |
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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 |
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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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