General Information of the Compound
| Compound ID |
CP0565891
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| Compound Name |
2-[2-[[3-[4-chloro-3-[(3R)-piperidin-3-yl]oxyphenyl]-2-fluorobenzoyl]amino]phenyl]acetic acid
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| Formula |
C26H24ClFN2O4
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| Molecular Weight |
482.939
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| Canonical SMILES |
OC(=O)Cc1ccccc1NC(=O)c1cccc(c1F)-c1ccc(Cl)c(O[C@@H]2CCCNC2)c1
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| InChI |
InChI=1S/C26H24ClFN2O4/c27-21-11-10-16(13-23(21)34-18-6-4-12-29-15-18)19-7-3-8-20(25(19)28)26(33)30-22-9-2-1-5-17(22)14-24(31)32/h1-3,5,7-11,13,18,29H,4,6,12,14-15H2,(H,30,33)(H,31,32)/t18-/m1/s1
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| InChIKey |
ICVHWNVCRBWIQT-GOSISDBHSA-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