General Information of the Compound
| Compound ID |
CP0935722
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| Compound Name |
7-(4-((4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)methyl)-1H-pyrazol-3-yl)-1,2-dihydroisoquinolin-3(4H)-one
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| Structure |
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| Formula |
C24H25F3N6O
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| Molecular Weight |
470.499
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| Canonical SMILES |
O=C1Cc2ccc(-c3n[nH]cc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2CN1
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| InChI |
InChI=1S/C24H25F3N6O/c25-24(26,27)20-4-5-21(28-14-20)33-7-1-6-32(8-9-33)15-19-13-30-31-23(19)17-3-2-16-11-22(34)29-12-18(16)10-17/h2-5,10,13-14H,1,6-9,11-12,15H2,(H,29,34)(H,30,31)
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| InChIKey |
SZSUJSIOUUCNGH-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