General Information of the Compound
| Compound ID |
CP0451804
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| Compound Name |
(R)-N-(2-(4-(3-chloro-5-(hydroxymethyl)pyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C26H30ClF3N6O2
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| Molecular Weight |
551.013
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2cc(cc(NC(=O)C3CCCCC3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C26H30ClF3N6O2/c1-15-13-35(23-19(27)9-16(14-37)12-31-23)7-8-36(15)25-33-21-11-18(26(28,29)30)10-20(22(21)34-25)32-24(38)17-5-3-2-4-6-17/h9-12,15,17,37H,2-8,13-14H2,1H3,(H,32,38)(H,33,34)/t15-/m1/s1
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| InChIKey |
HFOWLUKSAYYFJW-OAHLLOKOSA-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