General Information of the Compound
| Compound ID |
CP0513036
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| Compound Name |
ethyl 4-(13-chloro-5-cyano-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H22ClN3O2
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| Molecular Weight |
407.901
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2ccc(nc12)C#N
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| InChI |
InChI=1S/C23H22ClN3O2/c1-2-29-23(28)27-11-9-15(10-12-27)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-25)26-22(16)21/h5-8,13H,2-4,9-12H2,1H3
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| InChIKey |
MOMAIAHEAGWRMW-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