General Information of the Compound
| Compound ID |
CP0467893
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| Compound Name |
2-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]amino]-N,2-dimethylanilino]acetic acid
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| Structure |
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| Formula |
C28H30ClN3O3
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| Molecular Weight |
492.019
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| Canonical SMILES |
CN(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
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| InChI |
InChI=1S/C28H30ClN3O3/c1-18-24(8-5-9-25(18)32(2)17-26(33)34)31-28(35)27(20-6-3-4-7-20)21-12-10-19(11-13-21)22-14-23(29)16-30-15-22/h5,8-16,20,27H,3-4,6-7,17H2,1-2H3,(H,31,35)(H,33,34)
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| InChIKey |
SRDXRPFGRDRORW-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