General Information of the Compound
| Compound ID |
CP0416084
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| Compound Name |
1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazol- 3-yl]-3- [3- (6,7- dimethoxy- quinazolin- 4- ylthio)phenyl] urea
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| Structure |
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| Formula |
C24H23F2N5O4S
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| Molecular Weight |
515.542
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| Canonical SMILES |
COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
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| InChI |
InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)
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| InChIKey |
VQRAFZJCOZOOMB-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