General Information of the Compound
| Compound ID |
CP0463872
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| Compound Name |
(S)-6-Amino-2-[(R)-2-[(4-benzenesulfonyl-piperazine-1-carbonyl)-amino]-3-(1H-indol-3-yl)-propionylamino]-hexanoic acid tert-butyl ester
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| Structure |
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| Formula |
C32H44N6O6S
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| Molecular Weight |
640.807
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| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C32H44N6O6S/c1-32(2,3)44-30(40)27(15-9-10-16-33)35-29(39)28(21-23-22-34-26-14-8-7-13-25(23)26)36-31(41)37-17-19-38(20-18-37)45(42,43)24-11-5-4-6-12-24/h4-8,11-14,22,27-28,34H,9-10,15-21,33H2,1-3H3,(H,35,39)(H,36,41)/t27-,28+/m0/s1
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| InChIKey |
NDWMYLXWQINBEW-WUFINQPMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound