General Information of the Compound
| Compound ID |
CP0398238
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| Compound Name |
tert-butyl 4-(13-chloro-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 |
C24H27ClN2O2
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| Molecular Weight |
410.945
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C24H27ClN2O2/c1-24(2,3)29-23(28)27-13-10-16(11-14-27)21-20-9-8-19(25)15-18(20)7-6-17-5-4-12-26-22(17)21/h4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3
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| InChIKey |
UXTASJYYALBGBL-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