General Information of the Compound
| Compound ID |
CP0212271
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| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-7-(3-(3,5-dimethylpiperazin-1-yl)propoxy)-6-methylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C27H31N7OS
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| Molecular Weight |
501.66
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| Canonical SMILES |
CC1CN(CCCOc2cc3ncc(C#N)c(Nc4ccc5nc(N)sc5c4)c3cc2C)CC(C)N1
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| InChI |
InChI=1S/C27H31N7OS/c1-16-9-21-23(11-24(16)35-8-4-7-34-14-17(2)31-18(3)15-34)30-13-19(12-28)26(21)32-20-5-6-22-25(10-20)36-27(29)33-22/h5-6,9-11,13,17-18,31H,4,7-8,14-15H2,1-3H3,(H2,29,33)(H,30,32)
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| InChIKey |
PCCKFKMSYUVHFC-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