General Information of the Compound
| Compound ID |
CP0386531
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| Compound Name |
(R)-5-chloro-6-(3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)nicotinic acid
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| Structure |
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| Formula |
C25H18ClF6N5O2
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| Molecular Weight |
569.893
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H18ClF6N5O2/c1-11-10-36(22-16(26)4-13(9-33-22)23(38)39)2-3-37(11)24-34-19-8-14(25(30,31)32)7-15(21(19)35-24)12-5-17(27)20(29)18(28)6-12/h4-9,11H,2-3,10H2,1H3,(H,34,35)(H,38,39)/t11-/m1/s1
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| InChIKey |
MUXHRGJGWXXYBF-LLVKDONJSA-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