General Information of the Compound
| Compound ID |
CP0463052
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| Compound Name |
1-[6-(cyclopropanecarbonylamino)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C18H18N2O3S
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| Molecular Weight |
342.42
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(NC(=O)C3CC3)cc12
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| InChI |
InChI=1S/C18H18N2O3S/c21-16(11-2-3-11)20-12-4-5-14-13(10-12)15(6-9-19-14)24-18(17(22)23)7-1-8-18/h4-6,9-11H,1-3,7-8H2,(H,20,21)(H,22,23)
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| InChIKey |
DMXSSNSUWXAGNE-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