General Information of the Compound
| Compound ID |
CP0461705
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| Compound Name |
(1S,3S)-N1-(isoquinolin-4-ylmethyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C27H30N4O
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| Molecular Weight |
426.564
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cncc4ccccc34)nc2c1
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| InChI |
InChI=1S/C27H30N4O/c1-18-12-27(31-26-14-23(32-2)10-11-24(18)26)30-22-8-5-7-21(13-22)29-17-20-16-28-15-19-6-3-4-9-25(19)20/h3-4,6,9-12,14-16,21-22,29H,5,7-8,13,17H2,1-2H3,(H,30,31)/t21-,22-/m0/s1
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| InChIKey |
JMJVAROAWXUCQG-VXKWHMMOSA-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