General Information of the Compound
| Compound ID |
CP0719108
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| Compound Name |
(2R)-Methyl 2-[(2'S)-2-benzamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(C)C
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| InChI |
InChI=1S/C24H27N3O4/c1-15(2)21(24(30)31-3)27-23(29)20(26-22(28)16-9-5-4-6-10-16)13-17-14-25-19-12-8-7-11-18(17)19/h4-12,14-15,20-21,25H,13H2,1-3H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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| InChIKey |
MEPWQULMWNZPTQ-LEWJYISDSA-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