General Information of the Compound
| Compound ID |
CP0519263
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| Compound Name |
3-[3-[[(2R)-2-[4-(5-chloropyridin-3-yl)-3-fluorophenyl]-2-cyclopentylacetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C28H28ClFN2O3
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| Molecular Weight |
494.994
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)/t27-/m1/s1
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| InChIKey |
OZUBHMWSFYBJDO-HHHXNRCGSA-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