General Information of the Compound
| Compound ID |
CP0154076
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| Compound Name |
1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C25H22N6OS
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| Molecular Weight |
454.559
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)c1
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| InChI |
InChI=1S/C25H22N6OS/c1-15-4-3-5-19(10-15)30-25(32)29-18-8-6-16(7-9-18)21-14-33-23-20(12-27-24(26)22(21)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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| InChIKey |
MCCCQFAOMZMZKE-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