General Information of the Compound
| Compound ID |
CP0398482
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| Compound Name |
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-methoxyethanone
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| Structure |
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| Formula |
C22H23ClN2O2
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| Molecular Weight |
382.891
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| Canonical SMILES |
COCC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C22H23ClN2O2/c1-27-14-20(26)25-11-8-15(9-12-25)21-19-7-6-18(23)13-17(19)5-4-16-3-2-10-24-22(16)21/h2-3,6-7,10,13H,4-5,8-9,11-12,14H2,1H3
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| InChIKey |
RUMGOHGRZSJOQS-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