General Information of the Compound
| Compound ID |
CP0386524
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| Compound Name |
(R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)ethane-1,2-diol
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| Structure |
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| Formula |
C26H22ClF6N5O2
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| Molecular Weight |
585.936
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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)CO
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| InChI |
InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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| InChIKey |
VZBVEWNPFLFUCS-FXADVQPWSA-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