General Information of the Compound
| Compound ID |
CP0310576
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| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-7-(3-(3,5-dimethylpiperidin-1-yl)propoxy)-6-methylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C28H32N6OS
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| Molecular Weight |
500.672
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| Canonical SMILES |
CC1CC(C)CN(CCCOc2cc3ncc(C#N)c(Nc4ccc5nc(N)sc5c4)c3cc2C)C1
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| InChI |
InChI=1S/C28H32N6OS/c1-17-9-18(2)16-34(15-17)7-4-8-35-25-12-24-22(10-19(25)3)27(20(13-29)14-31-24)32-21-5-6-23-26(11-21)36-28(30)33-23/h5-6,10-12,14,17-18H,4,7-9,15-16H2,1-3H3,(H2,30,33)(H,31,32)
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| InChIKey |
HSAXWQYNUDKUQV-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