General Information of the Compound
| Compound ID |
CP0893234
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| Compound Name |
3,3,8-trimethyl-11-(2-(methylthio)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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| Structure |
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| Formula |
C23H26N2OS
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| Molecular Weight |
378.541
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| Canonical SMILES |
CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2
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| InChI |
InChI=1S/C23H26N2OS/c1-14-9-10-16-17(11-14)25-22(15-7-5-6-8-20(15)27-4)21-18(24-16)12-23(2,3)13-19(21)26/h5-11,22,24-25H,12-13H2,1-4H3
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| InChIKey |
BRBWKRUMDMPOGA-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