General Information of the Compound
| Compound ID |
CP0914105
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| Compound Name |
2-Chloro-4-(3-endo-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile
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| Formula |
C15H17ClN2O
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| Molecular Weight |
276.767
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| Canonical SMILES |
Cc1c(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)ccc(C#N)c1Cl
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| InChI |
InChI=1S/C15H17ClN2O/c1-9-14(5-2-10(8-17)15(9)16)18-11-3-4-12(18)7-13(19)6-11/h2,5,11-13,19H,3-4,6-7H2,1H3/t11-,12+,13+
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| InChIKey |
KRPAAKPHVZQMIF-ITGUQSILSA-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