General Information of the Compound
| Compound ID |
CP0373062
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-methylsulfanylphenyl]urea
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| Structure |
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| Formula |
C30H31N7O3S
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| Molecular Weight |
569.691
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| Canonical SMILES |
CSc1cc(Oc2ccnc3[nH]c(=O)c(C)nc23)ccc1NC(=O)Nc1cc(nn1-c1ccc(C)cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H31N7O3S/c1-17-7-9-19(10-8-17)37-25(16-24(36-37)30(3,4)5)34-29(39)33-21-12-11-20(15-23(21)41-6)40-22-13-14-31-27-26(22)32-18(2)28(38)35-27/h7-16H,1-6H3,(H,31,35,38)(H2,33,34,39)
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| InChIKey |
OSZSWXZVFKFWQT-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