General Information of the Compound
| Compound ID |
CP0404937
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| Compound Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-cyanobenzamide
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| Structure |
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| Formula |
C21H21ClN4O2
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| Molecular Weight |
396.878
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| Canonical SMILES |
Clc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C21H21ClN4O2/c22-18-6-4-15(5-7-18)13-26-9-8-19(14-26)25-20(27)12-24-21(28)17-3-1-2-16(10-17)11-23/h1-7,10,19H,8-9,12-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
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| InChIKey |
ZOSYWIXTJOFFSG-LJQANCHMSA-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