General Information of the Compound
| Compound ID |
CP0515781
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| Compound Name |
benzyl 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 |
C27H25ClN2O2
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| Molecular Weight |
444.962
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| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C27H25ClN2O2/c28-23-10-11-24-22(17-23)9-8-21-7-4-14-29-26(21)25(24)20-12-15-30(16-13-20)27(31)32-18-19-5-2-1-3-6-19/h1-7,10-11,14,17H,8-9,12-13,15-16,18H2
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| InChIKey |
NQNCOUDAVTVWHH-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