General Information of the Compound
| Compound ID |
CP0571164
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| Compound Name |
(2S)-N,4-dimethyl-2-[[(2S)-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoyl]amino]pentanamide
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| Structure |
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| Formula |
C32H34N4O4
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| Molecular Weight |
538.648
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| Canonical SMILES |
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C32H34N4O4/c1-20(2)18-25(30(38)33-3)35-31(39)26(19-21-12-6-4-7-13-21)36-32(40)29(37)27-23-16-10-11-17-24(23)34-28(27)22-14-8-5-9-15-22/h4-17,20,25-26,34H,18-19H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t25-,26-/m0/s1
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| InChIKey |
QXHBVJGLCMIHJL-UIOOFZCWSA-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