General Information of the Compound
| Compound ID |
CP0362629
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| Compound Name |
6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-3-methyl-11H-benzo[b][1,4]benzodiazepine
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| Formula |
C21H22FN3
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| Molecular Weight |
335.426
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| Canonical SMILES |
C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12
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| InChI |
InChI=1S/C21H22FN3/c1-13-4-6-19-20(10-13)24-21(15-8-9-25(3)14(2)11-15)17-12-16(22)5-7-18(17)23-19/h4-7,10-12,14,23H,8-9H2,1-3H3/t14-/m0/s1
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| InChIKey |
QEXGERZWQAGIRZ-AWEZNQCLSA-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