General Information of the Compound
| Compound ID |
CP0482335
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C31H36F3N5
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| Molecular Weight |
535.658
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C31H36F3N5/c1-37(29-12-2-6-22-8-5-13-35-30(22)29)21-25-19-27-23(20-36-25)7-3-11-28(27)39-16-14-38(15-17-39)26-10-4-9-24(18-26)31(32,33)34/h3-5,7-11,13,18,25,29,36H,2,6,12,14-17,19-21H2,1H3/t25-,29+/m1/s1
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| InChIKey |
ORWBANIGPSNUGH-IRPSRAIASA-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