General Information of the Compound
| Compound ID |
CP0322350
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| Compound Name |
2-Chloro-4-[[(3S)-1-methyl-5-oxo-3-pyrrolidinyl](phenylmethyl)amino]benzonitrile
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| Structure |
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| Formula |
C19H18ClN3O
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| Molecular Weight |
339.826
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| Canonical SMILES |
CN1C[C@H](CC1=O)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C19H18ClN3O/c1-22-13-17(10-19(22)24)23(12-14-5-3-2-4-6-14)16-8-7-15(11-21)18(20)9-16/h2-9,17H,10,12-13H2,1H3/t17-/m0/s1
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| InChIKey |
ILQXPYNQBBBDKC-KRWDZBQOSA-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