General Information of the Compound
| Compound ID |
CP0867178
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| Compound Name |
6-(4-((4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydroquinazolin-2(1H)-one
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| Structure |
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| Formula |
C23H24F3N7O
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| Molecular Weight |
471.487
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| Canonical SMILES |
O=C1NCc2cc(-c3n[nH]cc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2N1
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| InChI |
InChI=1S/C23H24F3N7O/c24-23(25,26)18-3-5-20(27-13-18)33-7-1-6-32(8-9-33)14-17-12-29-31-21(17)15-2-4-19-16(10-15)11-28-22(34)30-19/h2-5,10,12-13H,1,6-9,11,14H2,(H,29,31)(H2,28,30,34)
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| InChIKey |
FFLHKLMVZHNSJD-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