General Information of the Compound
| Compound ID |
CP0089357
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| Compound Name |
(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C16H13N3
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| Molecular Weight |
247.301
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| Canonical SMILES |
N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/m1/s1
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| InChIKey |
ZSRZWOCLRCXTHZ-CYBMUJFWSA-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