General Information of the Compound
| Compound ID |
CP0248246
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-methylquinoline-4-carboxamide
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1
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| InChI |
InChI=1S/C18H18N4O2/c1-12-9-15(14-6-2-3-7-16(14)21-12)18(24)20-11-17(23)22-8-4-5-13(22)10-19/h2-3,6-7,9,13H,4-5,8,11H2,1H3,(H,20,24)/t13-/m0/s1
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| InChIKey |
XTSOTMGJBJQAAZ-ZDUSSCGKSA-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