General Information of the Compound
| Compound ID |
CP0535553
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| Compound Name |
1-(4-aminoquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one
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| Structure |
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| Formula |
C18H16F3N5O
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| Molecular Weight |
375.354
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| Canonical SMILES |
CC1(C)Cc2c(c(nn2-c2ccc3c(N)ncnc3c2)C(F)(F)F)C(=O)C1
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| InChI |
InChI=1S/C18H16F3N5O/c1-17(2)6-12-14(13(27)7-17)15(18(19,20)21)25-26(12)9-3-4-10-11(5-9)23-8-24-16(10)22/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24)
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| InChIKey |
FWLCMMDYOTYCHR-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