General Information of the Compound
| Compound ID |
CP0335959
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| Compound Name |
4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
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| Structure |
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| Formula |
C16H16N2O
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| Molecular Weight |
252.317
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| Canonical SMILES |
C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C16H16N2O/c1-11-16(19)8-9-18(11)15-7-6-12(10-17)13-4-2-3-5-14(13)15/h2-7,11,16,19H,8-9H2,1H3/t11-,16-/m0/s1
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| InChIKey |
LWQKZNNGOSPTCG-ZBEGNZNMSA-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