General Information of the Compound
| Compound ID |
CP0507437
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| Compound Name |
3-[[1-[5-[(4-phenylmethoxybenzoyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C32H31N3O5
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| Molecular Weight |
537.616
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| Canonical SMILES |
OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cn2)c1
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| InChI |
InChI=1S/C32H31N3O5/c36-31(25-9-12-28(13-10-25)39-21-23-5-2-1-3-6-23)34-27-11-14-30(33-20-27)35-17-15-24(16-18-35)22-40-29-8-4-7-26(19-29)32(37)38/h1-14,19-20,24H,15-18,21-22H2,(H,34,36)(H,37,38)
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| InChIKey |
JSOAEDIQDNLXQO-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