General Information of the Compound
| Compound ID |
CP0492796
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| Compound Name |
(1S,3S)-N1-(6-isopropoxy-4-methoxyquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C24H31N3O2S
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| Molecular Weight |
425.598
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| Canonical SMILES |
COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccc(OC(C)C)cc12
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| InChI |
InChI=1S/C24H31N3O2S/c1-16(2)29-20-7-8-22-21(12-20)23(28-3)13-24(27-22)26-19-6-4-5-18(11-19)25-14-17-9-10-30-15-17/h7-10,12-13,15-16,18-19,25H,4-6,11,14H2,1-3H3,(H,26,27)/t18-,19-/m0/s1
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| InChIKey |
NRFZAQYZAXFSAH-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