General Information of the Compound
| Compound ID |
CP0574986
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| Compound Name |
ethyl (4E)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-3-hydroxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
CCOC(=O)N1CC\C(C(O)C1)=C1\c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C22H23ClN2O3/c1-2-28-22(27)25-11-9-18(19(26)13-25)20-17-8-7-16(23)12-15(17)6-5-14-4-3-10-24-21(14)20/h3-4,7-8,10,12,19,26H,2,5-6,9,11,13H2,1H3/b20-18+
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| InChIKey |
IPSMAKOQUQMHED-CZIZESTLSA-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