General Information of the Compound
| Compound ID |
CP0561842
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| Compound Name |
4-[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]cyclopentyl]oxy-3-chlorobenzonitrile
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| Structure |
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| Formula |
C17H22ClN3O
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| Molecular Weight |
319.836
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@@H]1CCC[C@H]1Oc1ccc(cc1Cl)C#N
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| InChI |
InChI=1S/C17H22ClN3O/c18-14-9-12(10-19)6-7-16(14)22-17-5-1-4-15(17)21-8-2-3-13(20)11-21/h6-7,9,13,15,17H,1-5,8,11,20H2/t13-,15-,17-/m1/s1
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| InChIKey |
ZXODGFWEXLCIQQ-FRFSOERESA-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