General Information of the Compound
| Compound ID |
CP0531599
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| Compound Name |
3-[[(2S)-2-(4-phenylmethoxyphenyl)-2-[(4-pyrimidin-5-ylbenzoyl)amino]acetyl]amino]benzamide
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| Formula |
C33H27N5O4
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| Molecular Weight |
557.61
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2cncnc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C33H27N5O4/c34-31(39)26-7-4-8-28(17-26)37-33(41)30(24-13-15-29(16-14-24)42-20-22-5-2-1-3-6-22)38-32(40)25-11-9-23(10-12-25)27-18-35-21-36-19-27/h1-19,21,30H,20H2,(H2,34,39)(H,37,41)(H,38,40)/t30-/m0/s1
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| InChIKey |
VRCOOIIGTKBESS-PMERELPUSA-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