General Information of the Compound
| Compound ID |
CP0537910
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| Compound Name |
(R)-(5-chloro-6-(4-(4-(dibenzylamino)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-3-methylpiperazin-1-yl)pyridin-3-yl)-methanol
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| Structure |
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| Formula |
C33H32ClF3N6O
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| Molecular Weight |
621.107
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2cc(cc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C33H32ClF3N6O/c1-22-18-41(31-27(34)14-25(21-44)17-38-31)12-13-43(22)32-39-28-15-26(33(35,36)37)16-29(30(28)40-32)42(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-11,14-17,22,44H,12-13,18-21H2,1H3,(H,39,40)/t22-/m1/s1
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| InChIKey |
AUFLGFDRZBYTIH-JOCHJYFZSA-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