General Information of the Compound
| Compound ID |
CP0248882
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| Compound Name |
(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
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| Structure |
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| Formula |
C16H17NO4S
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| Molecular Weight |
319.382
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1
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| InChIKey |
KTQWWYGLWQVHDM-CQSZACIVSA-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