General Information of the Compound
| Compound ID |
CP0875938
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| Compound Name |
(S)-N-(3-(4-isopropylpiperazin-1-yl)propyl)-N-(((R)-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 |
C29H43N5
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| Molecular Weight |
461.698
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| Canonical SMILES |
CC(C)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C29H43N5/c1-23(2)33-18-16-32(17-19-33)14-7-15-34(28-12-5-10-24-11-6-13-30-29(24)28)22-27-20-25-8-3-4-9-26(25)21-31-27/h3-4,6,8-9,11,13,23,27-28,31H,5,7,10,12,14-22H2,1-2H3/t27-,28+/m1/s1
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| InChIKey |
BEFUCOPQRUUBTH-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