General Information of the Compound
| Compound ID |
CP0488098
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| Compound Name |
1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C15H17N3O
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| Molecular Weight |
255.321
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| Canonical SMILES |
CN(C)CCCn1c2ccccc2cc(C#N)c1=O
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| InChI |
InChI=1S/C15H17N3O/c1-17(2)8-5-9-18-14-7-4-3-6-12(14)10-13(11-16)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3
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| InChIKey |
VMCSKXCNFOKBCL-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