General Information of the Compound
| Compound ID |
CP0565467
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| Compound Name |
(1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C21H25N3OS
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| Molecular Weight |
367.518
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| Canonical SMILES |
COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
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| InChI |
InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1
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| InChIKey |
ASOYUBRWYMDSNA-IRXDYDNUSA-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