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You are searching for "CFAMM00382141" 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 | CFAMM00382141 |
| Family | CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family |
| Superfamily | CFSBM1 Renin and Pol polyprotein Binder Superfamily |
| Class | CFCAD168 Class 168 |
| External ID | CHEMBL327194 |
External Source | CHEMBL |
| PubChem CID |
461616 |
Functional Category |
Bioactive |
| Molecule Name |
AC1LA4LO |
| IUPAC Name |
[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-octylpiperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| Synonyms |
1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 2;(2R,3R)-2-Isopropyl-1,1-dioxidotetrahydro-3-thienyl ((1S,2R)-1-benzyl-3-{(2S)-2-[(tert-butylamino)carbonyl]-4-octylpiperazin-1-yl}-2-hydroxypropyl)carbamate;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-octylpiperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| InChi |
InChI=1S/C35H60N4O6S/c1-7-8-9-10-11-15-19-38-20-21-39(29(24-38)33(41)37-35(4,5)6)25-30(40)28(23-27-16-13-12-14-17-27)36-34(42)45-31-18-22-46(43,44)32(31)26(2)3/h12-14,16-17,26,28-32,40H,7-11,15,18-25H2,1-6H3,(H,36,42)(H,37,41)/t28-,29-,30+,31+,32+/m0/s1 |
| InChiKey |
ODUDZQZUKNNLMD-PCYHVKPNSA-N |
| Formula | C35H60N4O6S |
Molecular Weight | 664.94 |
| Cross Link | CHEMBL327194 |
| 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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