General Information of the Compound
| Compound ID |
CP0358754
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| Compound Name |
N-(4,4-difluorocyclohexyl)-2,2-dimethyl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C31H44F2N4
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| Molecular Weight |
510.717
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| Canonical SMILES |
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1
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| InChI |
InChI=1S/C31H44F2N4/c1-30(2,22-36-26-12-14-31(32,33)15-13-26)16-18-37(28-11-5-9-23-10-6-17-34-29(23)28)21-27-19-24-7-3-4-8-25(24)20-35-27/h3-4,6-8,10,17,26-28,35-36H,5,9,11-16,18-22H2,1-2H3/t27-,28+/m1/s1
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| InChIKey |
BCTNZAWHTKKRHH-IZLXSDGUSA-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