General Information of the Compound
| Compound ID |
CP0238068
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| Compound Name |
N-(4,4-dimethylcyclohexyl)-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 |
C33H50N4
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| Molecular Weight |
502.791
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| Canonical SMILES |
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1
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| InChI |
InChI=1S/C33H50N4/c1-32(2)16-14-28(15-17-32)36-24-33(3,4)18-20-37(30-13-7-11-25-12-8-19-34-31(25)30)23-29-21-26-9-5-6-10-27(26)22-35-29/h5-6,8-10,12,19,28-30,35-36H,7,11,13-18,20-24H2,1-4H3/t29-,30+/m1/s1
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| InChIKey |
JSBXUFQJCIWBMY-IHLOFXLRSA-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