General Information of the Compound
| Compound ID |
CP0537493
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| Compound Name |
N-[(1S)-2-(3-carbamoylanilino)-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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| Formula |
C31H27N3O6
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| Molecular Weight |
537.572
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc3OCCOc3c2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C31H27N3O6/c32-29(35)22-7-4-8-24(17-22)33-31(37)28(34-30(36)23-11-14-26-27(18-23)39-16-15-38-26)21-9-12-25(13-10-21)40-19-20-5-2-1-3-6-20/h1-14,17-18,28H,15-16,19H2,(H2,32,35)(H,33,37)(H,34,36)/t28-/m0/s1
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| InChIKey |
RJIMVNOPGVFWSF-NDEPHWFRSA-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