General Information of the Compound
| Compound ID |
CP0519217
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| Compound Name |
1-[(1-methylpyrazol-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-N-[1-(trideuteriomethyl)cyclopropyl]quinazoline-6-sulfonamide
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| Structure |
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| Formula |
C22H25N7O4S
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| Molecular Weight |
486.5723053
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| Canonical SMILES |
[2H]C([2H])([2H])C1(CC1)NS(=O)(=O)c1ccc2n(Cc3ccn(C)n3)c(=O)n(Cc3cnn(C)c3)c(=O)c2c1
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| InChI |
InChI=1S/C22H25N7O4S/c1-22(7-8-22)25-34(32,33)17-4-5-19-18(10-17)20(30)29(13-15-11-23-27(3)12-15)21(31)28(19)14-16-6-9-26(2)24-16/h4-6,9-12,25H,7-8,13-14H2,1-3H3/i1D3
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| InChIKey |
YIIIUBIPEMDTEA-FIBGUPNXSA-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