General Information of the Compound
| Compound ID |
CP0494241
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| Compound Name |
N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C24H27N5O6
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| Molecular Weight |
481.509
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C24H27N5O6/c30-20(28-10-12-35-13-11-28)14-27-24(34)22(32)19-6-3-9-29(19)21(31)15-26-23(33)17-7-8-25-18-5-2-1-4-16(17)18/h1-2,4-5,7-8,19H,3,6,9-15H2,(H,26,33)(H,27,34)/t19-/m0/s1
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| InChIKey |
QSBCOULRKRCZJG-IBGZPJMESA-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: PT00907, Dipeptidyl peptidase 4
Protein ID: PT01241, Prolyl endopeptidase FAP