General Information of the Compound
| Compound ID |
CP0423251
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| Compound Name |
N-[1-(difluoromethyl)cyclopropyl]-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
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| Structure |
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| Formula |
C22H23F2N7O4S
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| Molecular Weight |
519.534
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| Canonical SMILES |
Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)F)n1
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| InChI |
InChI=1S/C22H23F2N7O4S/c1-28-8-5-15(26-28)13-30-18-4-3-16(36(34,35)27-22(6-7-22)20(23)24)9-17(18)19(32)31(21(30)33)12-14-10-25-29(2)11-14/h3-5,8-11,20,27H,6-7,12-13H2,1-2H3
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| InChIKey |
YPJSTCOAXTXCOC-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