General Information of the Compound
| Compound ID |
CP0347671
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| Compound Name |
(8S)-N-[[4-[[(4,4-difluorocyclohexyl)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 |
C33H40F2N4
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| Molecular Weight |
530.707
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| Canonical SMILES |
FC1(F)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1
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| InChI |
InChI=1S/C33H40F2N4/c34-33(35)16-14-29(15-17-33)37-20-24-10-12-25(13-11-24)22-39(31-9-3-7-26-8-4-18-36-32(26)31)23-30-19-27-5-1-2-6-28(27)21-38-30/h1-2,4-6,8,10-13,18,29-31,37-38H,3,7,9,14-17,19-23H2/t30-,31+/m1/s1
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| InChIKey |
VXFZOKLPMVMVEZ-JSOSNVBQSA-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