General Information of the Compound
| Compound ID |
CP0745060
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| Compound Name |
2-(5-methyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C19H16F3N5O2
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| Molecular Weight |
403.364
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(C(F)(F)F)cc(=O)[nH]1
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| InChI |
InChI=1S/C19H16F3N5O2/c1-11-14(17(29)26-7-6-12-4-2-3-5-13(12)10-26)9-23-27(11)18-24-15(19(20,21)22)8-16(28)25-18/h2-5,8-9H,6-7,10H2,1H3,(H,24,25,28)
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| InChIKey |
INJAKIHRCQGEHZ-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