General Information of the Compound
| Compound ID |
CP0527730
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| Compound Name |
(R)-5-chloro-6-(4-(4-(4-fluorophenyl)-6-(trifluoromethyl)-1Hbenzo[d]imidazol-2-yl)-3-methylpiperazin-1-yl)pyridin-3-amine
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| Structure |
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| Formula |
C24H21ClF4N6
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| Molecular Weight |
504.919
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1ccc(F)cc1)c1ncc(N)cc1Cl
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| InChI |
InChI=1S/C24H21ClF4N6/c1-13-12-34(22-19(25)10-17(30)11-31-22)6-7-35(13)23-32-20-9-15(24(27,28)29)8-18(21(20)33-23)14-2-4-16(26)5-3-14/h2-5,8-11,13H,6-7,12,30H2,1H3,(H,32,33)/t13-/m1/s1
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| InChIKey |
VKYMEZDEEIGFCN-CYBMUJFWSA-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