General Information of the Compound
| Compound ID |
CP0150869
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| Compound Name |
1-[4-[4-amino-7-(1H-pyrrol-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C25H21N5OS
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| Molecular Weight |
439.544
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]c2)c1
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| InChI |
InChI=1S/C25H21N5OS/c1-15-3-2-4-19(11-15)30-25(31)29-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-27-12-17)13-28-24(26)22(21)23/h2-14,27H,1H3,(H2,26,28)(H2,29,30,31)
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| InChIKey |
MYMJRZXUXNYPIX-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