General Information of the Compound
| Compound ID |
CP0218960
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| Compound Name |
4-(3-(2-benzylpyridin-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 |
C29H22F3N3O
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| Molecular Weight |
485.509
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(Cc2ccccc2)c1
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| InChI |
InChI=1S/C29H22F3N3O/c1-18-12-26-27(16-24(18)29(30,31)32)35-28(36)17-25(34-26)22-9-5-8-20(14-22)21-10-11-33-23(15-21)13-19-6-3-2-4-7-19/h2-12,14-16H,13,17H2,1H3,(H,35,36)
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| InChIKey |
OXFVKTYMAXFNJL-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