General Information of the Compound
| Compound ID |
CP0471153
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| Compound Name |
2-[[[2-(4-chlorophenyl)acetyl]amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
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| Structure |
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| Formula |
C28H28ClN5O3
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| Molecular Weight |
518.017
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| Canonical SMILES |
Clc1ccc(CC(=O)NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
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| InChI |
InChI=1S/C28H28ClN5O3/c29-22-12-10-20(11-13-22)16-26(35)33-34-28(37)32-25(17-21-18-31-24-9-5-4-8-23(21)24)27(36)30-15-14-19-6-2-1-3-7-19/h1-13,18,25,31H,14-17H2,(H,30,36)(H,33,35)(H2,32,34,37)
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| InChIKey |
ZVTSSQGUQFITGV-UHFFFAOYSA-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