General Information of the Compound
| Compound ID |
CP0086237
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| Compound Name |
N-benzyl-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]benzamide
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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| InChIKey |
KWXJZQMGEXSJRF-INIZCTEOSA-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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