General Information of the Compound
| Compound ID |
CP0701246
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| Compound Name |
(2R)-Methyl 2-[(2'S)-2-benzamido-3-(1H-indol-3-yl)propanamido]-4-methylpentanoate
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C25H29N3O4/c1-16(2)13-22(25(31)32-3)28-24(30)21(27-23(29)17-9-5-4-6-10-17)14-18-15-26-20-12-8-7-11-19(18)20/h4-12,15-16,21-22,26H,13-14H2,1-3H3,(H,27,29)(H,28,30)/t21-,22+/m0/s1
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| InChIKey |
ZASNKJDRXCQLFT-FCHUYYIVSA-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