General Information of the Compound
| Compound ID |
CP0063062
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| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-6-methyl-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C26H29N7OS
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| Molecular Weight |
487.633
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| Canonical SMILES |
CN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc5nc(N)sc5c4)c3cc2C)CC1
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| InChI |
InChI=1S/C26H29N7OS/c1-17-12-20-22(14-23(17)34-11-3-6-33-9-7-32(2)8-10-33)29-16-18(15-27)25(20)30-19-4-5-21-24(13-19)35-26(28)31-21/h4-5,12-14,16H,3,6-11H2,1-2H3,(H2,28,31)(H,29,30)
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| InChIKey |
HMGYAOFKBQVVQM-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