General Information of the Compound
| Compound ID |
CP0541666
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| Compound Name |
(R)-tert-butyl 2-(4-(3-Chloro-5-(hydroxymethyl)pyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-4-ylcarbamate
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| Structure |
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| Formula |
C24H28ClF3N6O3
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| Molecular Weight |
540.974
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2cc(cc(NC(=O)OC(C)(C)C)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C24H28ClF3N6O3/c1-13-11-33(20-16(25)7-14(12-35)10-29-20)5-6-34(13)21-30-17-8-15(24(26,27)28)9-18(19(17)32-21)31-22(36)37-23(2,3)4/h7-10,13,35H,5-6,11-12H2,1-4H3,(H,30,32)(H,31,36)/t13-/m1/s1
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| InChIKey |
SPIMJNQRNKJTCD-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