General Information of the Compound
| Compound ID |
CP0470680
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C29H29N7O3S
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| Molecular Weight |
555.664
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| Canonical SMILES |
CSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1NC(=O)Nc1cc(nn1-c1ccc(C)cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H29N7O3S/c1-17-6-8-18(9-7-17)36-24(15-23(35-36)29(2,3)4)33-28(38)32-20-11-10-19(14-22(20)40-5)39-21-12-13-30-27-26(21)31-16-25(37)34-27/h6-16H,1-5H3,(H,30,34,37)(H2,32,33,38)
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| InChIKey |
YTDHTKGXXMJUSH-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