General Information of the Compound
| Compound ID |
CP0297211
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| Compound Name |
4-(3-(2-(hydroxymethyl)pyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C23H18F3N3O2
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| Molecular Weight |
425.41
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(CO)c1
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| InChI |
InChI=1S/C23H18F3N3O2/c1-13-7-20-21(10-18(13)23(24,25)26)29-22(31)11-19(28-20)16-4-2-3-14(8-16)15-5-6-27-17(9-15)12-30/h2-10,30H,11-12H2,1H3,(H,29,31)
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| InChIKey |
XUPVYWSSTOVIOJ-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