General Information of the Compound
| Compound ID |
CP0554624
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| Compound Name |
3-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-11H-benzo[b][1,4]benzodiazepine
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| Formula |
C20H19ClFN3
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| Molecular Weight |
355.844
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| Canonical SMILES |
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12
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| InChI |
InChI=1S/C20H19ClFN3/c1-12-9-13(7-8-25(12)2)20-16-11-15(22)4-6-17(16)23-18-5-3-14(21)10-19(18)24-20/h3-6,9-12,23H,7-8H2,1-2H3/t12-/m0/s1
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| InChIKey |
JJZQCWGLYTVPFB-LBPRGKRZSA-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