General Information of the Compound
| Compound ID |
CP0557019
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| Compound Name |
ethyl 4-[13-chloro-7-(difluoromethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-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)cc2CCc2c(ccnc12)C(F)F
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| InChI |
InChI=1S/C23H23ClF2N2O2/c1-2-30-23(29)28-11-8-14(9-12-28)20-17-6-4-16(24)13-15(17)3-5-18-19(22(25)26)7-10-27-21(18)20/h4,6-7,10,13,22H,2-3,5,8-9,11-12H2,1H3
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| InChIKey |
AUBKOASTNWNWLZ-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