General Information of the Compound
| Compound ID |
CP0150790
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| Compound Name |
2,6-dichloro-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C14H13Cl2N3O2
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| Molecular Weight |
326.183
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| Canonical SMILES |
Clc1cccc(Cl)c1C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C14H13Cl2N3O2/c15-10-4-1-5-11(16)13(10)14(21)18-8-12(20)19-6-2-3-9(19)7-17/h1,4-5,9H,2-3,6,8H2,(H,18,21)/t9-/m0/s1
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| InChIKey |
CEQDXLZRRYUVKY-VIFPVBQESA-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