General Information of the Compound
| Compound ID |
CP0453742
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| Compound Name |
(R)-2-(2-propyl-4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C21H21F6N5
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| Molecular Weight |
457.422
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| Canonical SMILES |
CCC[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(F)(F)F)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C21H21F6N5/c1-2-4-14-12-31(18-15(21(25,26)27)5-3-8-28-18)9-10-32(14)19-29-16-7-6-13(20(22,23)24)11-17(16)30-19/h3,5-8,11,14H,2,4,9-10,12H2,1H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
LSCYYFXIEWHCPN-CQSZACIVSA-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