General Information of the Compound
| Compound ID |
CP0240668
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
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| Synonyms |
BDBM50434165
CHEMBL2385271
SCHEMBL15129912
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
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| InChI |
InChI=1S/C18H18N4O3/c1-25-13-4-5-16-15(9-13)14(6-7-20-16)18(24)21-11-17(23)22-8-2-3-12(22)10-19/h4-7,9,12H,2-3,8,11H2,1H3,(H,21,24)/t12-/m0/s1
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| InChIKey |
YPWQFVMQCFSLCP-LBPRGKRZSA-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
Clinical Information about the Compound