General Information of the Compound
| Compound ID |
CP0436740
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-3-methyl-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 |
C34H51N5O6
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| Molecular Weight |
625.811
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| Canonical SMILES |
CC(C)[C@H](O)C(=O)N[C@@H](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/C34H51N5O6/c1-20(2)28(32(43)36-19-25-13-15-35-16-14-25)38-31(42)23(7)17-27(40)26(18-24-11-9-8-10-12-24)37-33(44)29(21(3)4)39-34(45)30(41)22(5)6/h8-16,20-23,26-30,40-41H,17-19H2,1-7H3,(H,36,43)(H,37,44)(H,38,42)(H,39,45)/t23-,26+,27+,28+,29+,30+/m1/s1
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| InChIKey |
DRFQADZZIQVIES-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