General Information of the Compound
| Compound ID |
CP0486935
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| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-7-(3-(diethylamino)propoxy)-6-methylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
CCN(CC)CCCOc1cc2ncc(C#N)c(Nc3ccc4nc(N)sc4c3)c2cc1C
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| InChI |
InChI=1S/C25H28N6OS/c1-4-31(5-2)9-6-10-32-22-13-21-19(11-16(22)3)24(17(14-26)15-28-21)29-18-7-8-20-23(12-18)33-25(27)30-20/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H2,27,30)(H,28,29)
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| InChIKey |
XHKQTMJTEIJFAR-UHFFFAOYSA-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