General Information of the Compound
| Compound ID |
CP0893137
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| Compound Name |
6-(cyclobutylsulfonyl)-N-(quinolin-3-yl)-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
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| Structure |
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| Formula |
C21H22N4O2S
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| Molecular Weight |
394.5
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| Canonical SMILES |
O=S(=O)(C1CCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
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| InChI |
InChI=1S/C21H22N4O2S/c26-28(27,18-5-3-6-18)25-11-9-19-16(14-25)8-10-22-21(19)24-17-12-15-4-1-2-7-20(15)23-13-17/h1-2,4,7-8,10,12-13,18H,3,5-6,9,11,14H2,(H,22,24)
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| InChIKey |
INHMWEISNCPDFT-UHFFFAOYSA-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
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Protein ID: PT00961, Fatty-acid amide hydrolase 1