General Information of the Compound
| Compound ID |
CP0675518
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| Compound Name |
endo-methyl 8-(bis(2-chlorophenyl)methyl)-3-(4-chlorobenzyl)-8-azabicyclo[3.2.1]octan-3-ylcarbamate
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| Formula |
C29H29Cl3N2O2
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| Molecular Weight |
543.922
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| Canonical SMILES |
COC(=O)N[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C29H29Cl3N2O2/c1-36-28(35)33-29(16-19-10-12-20(30)13-11-19)17-21-14-15-22(18-29)34(21)27(23-6-2-4-8-25(23)31)24-7-3-5-9-26(24)32/h2-13,21-22,27H,14-18H2,1H3,(H,33,35)/t21-,22+,29-
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| InChIKey |
QUIALWNBYZWUGD-ISRMLTCMSA-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