General Information of the Compound
| Compound ID |
CP0914289
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| Compound Name |
8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine fumarate
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| Structure |
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| Formula |
C24H25ClN2O4
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| Molecular Weight |
440.927
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| Canonical SMILES |
CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C20H21ClN2.C4H4O4/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19;5-3(6)1-2-4(7)8/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
AVICQRAJOYIFCJ-WLHGVMLRSA-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