General Information of the Compound
| Compound ID |
CP0464529
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| Compound Name |
(1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-4-ylmethyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C24H27N5OS
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| Molecular Weight |
433.581
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc4nsnc34)nc2c1
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| InChI |
InChI=1S/C24H27N5OS/c1-15-11-23(27-22-13-19(30-2)9-10-20(15)22)26-18-7-4-6-17(12-18)25-14-16-5-3-8-21-24(16)29-31-28-21/h3,5,8-11,13,17-18,25H,4,6-7,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1
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| InChIKey |
WANPNPIZOBYJBU-ROUUACIJSA-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