General Information of the Compound
| Compound ID |
CP0560834
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| Compound Name |
(2S,3S)-N,3-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 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)NC
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| InChI |
InChI=1S/C32H34N4O4/c1-4-20(2)27(31(39)33-3)36-30(38)25(19-21-13-7-5-8-14-21)35-32(40)29(37)26-23-17-11-12-18-24(23)34-28(26)22-15-9-6-10-16-22/h5-18,20,25,27,34H,4,19H2,1-3H3,(H,33,39)(H,35,40)(H,36,38)/t20-,25-,27-/m0/s1
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| InChIKey |
NUROBXGZWIJWJT-OICBGKIFSA-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