General Information of the Compound
| Compound ID |
CP0452773
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| Compound Name |
(1R,3R)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C22H27N3OS
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| Molecular Weight |
381.545
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| Canonical SMILES |
COc1ccc2nc(N[C@@H]3CCC[C@H](C3)NCc3ccsc3)cc(C)c2c1
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| InChI |
InChI=1S/C22H27N3OS/c1-15-10-22(25-21-7-6-19(26-2)12-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m1/s1
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| InChIKey |
FELFFDCWHKHTBL-QZTJIDSGSA-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