General Information of the Compound
| Compound ID |
CP0428303
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| Compound Name |
N-[3-chloranyl-4-[3,3-dimethyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C18H16ClN3O3
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| Molecular Weight |
357.797
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| Canonical SMILES |
CC1(C)CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
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| InChI |
InChI=1S/C18H16ClN3O3/c1-18(2)10-15(23)22(17(18)25)14-7-6-11(9-12(14)19)21-16(24)13-5-3-4-8-20-13/h3-9H,10H2,1-2H3,(H,21,24)
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| InChIKey |
VMKVEFRKXCKLPA-UHFFFAOYSA-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