General Information of the Compound
Compound ID |
CP0548669
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Compound Name |
ethyl 4-[13-chloro-5-(difluoromethyl)-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 |
C23H23ClF2N2O2
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Molecular Weight |
432.898
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Canonical SMILES |
CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2ccc(nc12)C(F)F
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InChI |
InChI=1S/C23H23ClF2N2O2/c1-2-30-23(29)28-11-9-14(10-12-28)20-18-7-6-17(24)13-16(18)4-3-15-5-8-19(22(25)26)27-21(15)20/h5-8,13,22H,2-4,9-12H2,1H3
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InChIKey |
CIGFXIOOVYMTSM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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