General Information of the Compound
| Compound ID |
CP0255486
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| Compound Name |
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxo-quinazoline-6-sulfonamide
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| Structure |
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| Formula |
C22H25N7O4S2
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| Molecular Weight |
515.621
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| Canonical SMILES |
Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
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| InChI |
InChI=1S/C22H25N7O4S2/c1-13-9-15(27(4)25-13)11-28-18-6-5-16(35(32,33)26-22(3)7-8-22)10-17(18)20(30)29(21(28)31)12-19-24-23-14(2)34-19/h5-6,9-10,26H,7-8,11-12H2,1-4H3
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| InChIKey |
NEBXSPXALDDNCB-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