General Information of the Compound
| Compound ID |
CP0523821
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-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 |
C34H51N5O6S
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| Molecular Weight |
657.878
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H](O)C(C)C)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/C34H51N5O6S/c1-21(2)29(33(44)36-20-25-12-15-35-16-13-25)39-31(42)23(5)18-28(40)27(19-24-10-8-7-9-11-24)38-32(43)26(14-17-46-6)37-34(45)30(41)22(3)4/h7-13,15-16,21-23,26-30,40-41H,14,17-20H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)/t23-,26+,27+,28+,29+,30+/m1/s1
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| InChIKey |
MTIISIIWETWJQO-XMGYLCLZSA-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