General Information of the Compound
| Compound ID |
CP0091126
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| Compound Name |
1-[4-(7-Amino-3-thiophen-3-yl-pyrazolo[1,5-a]pyrimidin-6-yl)-phenyl]-3-m-tolyl-urea
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| Structure |
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| Formula |
C24H20N6OS
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| Molecular Weight |
440.532
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3c(cnn3c2N)-c2ccsc2)c1
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| InChI |
InChI=1S/C24H20N6OS/c1-15-3-2-4-19(11-15)29-24(31)28-18-7-5-16(6-8-18)20-12-26-23-21(17-9-10-32-14-17)13-27-30(23)22(20)25/h2-14H,25H2,1H3,(H2,28,29,31)
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| InChIKey |
AQDKLUJYKQRNDT-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