General Information of the Compound
| Compound ID |
CP0565985
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| Compound Name |
4-[4-[1-(2-fluoroanilino)-2-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H26F2N2O3
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| Molecular Weight |
512.556
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(cc1)C(Nc1ccccc1F)C(=O)N1CCC[C@H]1c1ccccc1F
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| InChI |
InChI=1S/C31H26F2N2O3/c32-25-7-2-1-6-24(25)28-10-5-19-35(28)30(36)29(34-27-9-4-3-8-26(27)33)22-15-11-20(12-16-22)21-13-17-23(18-14-21)31(37)38/h1-4,6-9,11-18,28-29,34H,5,10,19H2,(H,37,38)/t28-,29?/m0/s1
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| InChIKey |
XJXZQMRLKYIBCL-XLTVJXRZSA-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