General Information of the Compound
| Compound ID |
CP0383530
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| Compound Name |
(8S)-N-[[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]methyl]-N-[[(3R)-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 |
C35H46N4
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| Molecular Weight |
522.781
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| Canonical SMILES |
CC1(C)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1
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| InChI |
InChI=1S/C35H46N4/c1-35(2)18-16-31(17-19-35)37-22-26-12-14-27(15-13-26)24-39(33-11-5-9-28-10-6-20-36-34(28)33)25-32-21-29-7-3-4-8-30(29)23-38-32/h3-4,6-8,10,12-15,20,31-33,37-38H,5,9,11,16-19,21-25H2,1-2H3/t32-,33+/m1/s1
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| InChIKey |
LBNCYBAXRNMAKW-SAIUNTKASA-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