General Information of the Compound
| Compound ID |
CP0914282
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| Compound Name |
10-butyl-11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-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 |
C26H30ClFN2O
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| Molecular Weight |
440.99
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| Canonical SMILES |
CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl
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| InChI |
InChI=1S/C26H30ClFN2O/c1-5-6-12-30-21-13-16(2)10-11-19(21)29-20-14-26(3,4)15-22(31)24(20)25(30)23-17(27)8-7-9-18(23)28/h7-11,13,25,29H,5-6,12,14-15H2,1-4H3
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| InChIKey |
YUJLADBPOGGNAK-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