General Information of the Compound
| Compound ID |
CP0574734
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| Compound Name |
1-[[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-3-(1-methylindazol-4-yl)urea
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| Formula |
C24H25F3N6O
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| Molecular Weight |
470.499
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| Canonical SMILES |
Cn1ncc2c(NC(=O)NCc3cc(nn3-c3ccc(cc3)C(F)(F)F)C(C)(C)C)cccc12
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| InChI |
InChI=1S/C24H25F3N6O/c1-23(2,3)21-12-17(33(31-21)16-10-8-15(9-11-16)24(25,26)27)13-28-22(34)30-19-6-5-7-20-18(19)14-29-32(20)4/h5-12,14H,13H2,1-4H3,(H2,28,30,34)
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| InChIKey |
HZSDJAOPFDPGNX-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