General Information of the Compound
| Compound ID |
CP0315083
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| Compound Name |
3-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-ethyl-11H-benzo[b][1,4]benzodiazepine
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| Structure |
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| Formula |
C22H24ClN3
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| Molecular Weight |
365.908
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| Canonical SMILES |
CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1
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| InChI |
InChI=1S/C22H24ClN3/c1-4-15-5-7-19-18(12-15)22(16-9-10-26(3)14(2)11-16)25-21-13-17(23)6-8-20(21)24-19/h5-8,11-14,24H,4,9-10H2,1-3H3/t14-/m0/s1
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| InChIKey |
VSQDOVCYPJDCLP-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