General Information of the Compound
| Compound ID |
CP0398484
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| Compound Name |
1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C22H23ClN2O
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| Molecular Weight |
366.892
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| Canonical SMILES |
CCC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C22H23ClN2O/c1-2-20(26)25-12-9-15(10-13-25)21-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-22(16)21/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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| InChIKey |
YCUNEQYBXNSSJK-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