General Information of the Compound
| Compound ID |
CP0709542
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| Compound Name |
endo-methyl 8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ylcarbamate
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| Formula |
C27H27Cl2N3O2
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| Molecular Weight |
496.438
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| Canonical SMILES |
COC(=O)N[C@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19+,27-
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| InChIKey |
DARVYVPYKGICLE-MZNYFNKISA-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