General Information of the Compound
| Compound ID |
CP0308977
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| Compound Name |
2,6-difluoro-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
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| Structure |
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| Formula |
C31H23F2N7OS
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| Molecular Weight |
579.636
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
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| InChI |
InChI=1S/C31H23F2N7OS/c32-23-5-2-6-24(33)26(23)29(41)36-21-4-1-3-19(16-21)27-28(40-13-14-42-31(40)39-27)25-10-12-35-30(38-25)37-22-8-7-20-17-34-11-9-18(20)15-22/h1-8,10,12-16,34H,9,11,17H2,(H,36,41)(H,35,37,38)
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| InChIKey |
UUFDRURWKKKAJF-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