General Information of the Compound
| Compound ID |
CP0429949
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| Compound Name |
(8S)-N-[(4,4-difluorocyclohexyl)methyl]-N-[[(3R)-5-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 |
C30H41F2N5
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| Molecular Weight |
509.689
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| Canonical SMILES |
FC1(F)CCC(CN(C[C@H]2Cc3c(CN2)cccc3N2CCNCC2)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C30H41F2N5/c31-30(32)11-9-22(10-12-30)20-37(28-8-1-4-23-6-3-13-34-29(23)28)21-25-18-26-24(19-35-25)5-2-7-27(26)36-16-14-33-15-17-36/h2-3,5-7,13,22,25,28,33,35H,1,4,8-12,14-21H2/t25-,28+/m1/s1
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| InChIKey |
BOKACOBDBAIIFX-NAKRPHOHSA-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