General Information of the Compound
| Compound ID |
CP0136287
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| Compound Name |
6-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C21H24F3N3
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| Molecular Weight |
375.438
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)-c1ccc2CNCCc2c1
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| InChI |
InChI=1S/C21H24F3N3/c1-26-8-10-27(11-9-26)20-5-4-16(13-19(20)21(22,23)24)15-2-3-18-14-25-7-6-17(18)12-15/h2-5,12-13,25H,6-11,14H2,1H3
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| InChIKey |
XSHJZXZIAWBGCX-UHFFFAOYSA-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