General Information of the Compound
| Compound ID |
CP0468992
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| Compound Name |
1-[(1-methylpyrazol-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]quinazoline-6-sulfonamide
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| Structure |
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| Formula |
C22H22F3N7O4S
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| Molecular Weight |
537.524
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| Canonical SMILES |
Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H22F3N7O4S/c1-29-8-5-15(27-29)13-31-18-4-3-16(37(35,36)28-21(6-7-21)22(23,24)25)9-17(18)19(33)32(20(31)34)12-14-10-26-30(2)11-14/h3-5,8-11,28H,6-7,12-13H2,1-2H3
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| InChIKey |
PHMBUKPLTWFJTD-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