General Information of the Compound
| Compound ID |
CP0572555
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| Compound Name |
2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]-5-fluorophenyl]acetic acid
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| Formula |
C26H23ClF2N2O4
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| Molecular Weight |
500.929
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| Canonical SMILES |
OC(=O)Cc1cc(F)ccc1NC(=O)c1cccc(c1)-c1ccc(Cl)c(O[C@@H]2CCCNC2)c1F
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| InChI |
InChI=1S/C26H23ClF2N2O4/c27-21-8-7-20(24(29)25(21)35-19-5-2-10-30-14-19)15-3-1-4-16(11-15)26(34)31-22-9-6-18(28)12-17(22)13-23(32)33/h1,3-4,6-9,11-12,19,30H,2,5,10,13-14H2,(H,31,34)(H,32,33)/t19-/m1/s1
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| InChIKey |
DVMBOXLPRVXDNY-LJQANCHMSA-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