General Information of the Compound
| Compound ID |
CP0552991
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| Compound Name |
N-[(1S)-2-(3-carbamoylanilino)-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]naphthalene-2-carboxamide
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| Formula |
C33H27N3O4
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| Molecular Weight |
529.596
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C33H27N3O4/c34-31(37)26-11-6-12-28(20-26)35-33(39)30(36-32(38)27-14-13-23-9-4-5-10-25(23)19-27)24-15-17-29(18-16-24)40-21-22-7-2-1-3-8-22/h1-20,30H,21H2,(H2,34,37)(H,35,39)(H,36,38)/t30-/m0/s1
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| InChIKey |
FPOXVKZFXZOQSQ-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