General Information of the Compound
| Compound ID |
CP0536166
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| Compound Name |
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C)nc3C)nc2c1
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| InChI |
InChI=1S/C23H31N5O/c1-15-10-23(26-22-12-20(29-4)8-9-21(15)22)25-19-7-5-6-18(11-19)24-13-17-14-28(3)27-16(17)2/h8-10,12,14,18-19,24H,5-7,11,13H2,1-4H3,(H,25,26)/t18-,19-/m0/s1
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| InChIKey |
FUHCJLMTRASJAW-OALUTQOASA-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