General Information of the Compound
| Compound ID |
CP0501142
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-3-hydroxy-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C32H47N5O7
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| Molecular Weight |
613.756
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| Canonical SMILES |
CC(C)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C32H47N5O7/c1-19(2)27(31(43)34-17-23-11-13-33-14-12-23)37-29(41)21(5)15-26(39)24(16-22-9-7-6-8-10-22)35-30(42)25(18-38)36-32(44)28(40)20(3)4/h6-14,19-21,24-28,38-40H,15-18H2,1-5H3,(H,34,43)(H,35,42)(H,36,44)(H,37,41)/t21-,24+,25+,26+,27+,28+/m1/s1
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| InChIKey |
AGACGKXRGJHJFX-GECRCPRRSA-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