General Information of the Compound
| Compound ID |
CP0377842
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| Compound Name |
6-cyclopentyl-2-((3-methoxyphenyl)ethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
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| InChI |
InChI=1S/C22H22N2O2/c1-26-19-8-4-5-16(15-19)9-10-17-11-12-20-21(23-17)13-14-24(22(20)25)18-6-2-3-7-18/h4-5,8,11-12,15,18H,2-3,6-7,13-14H2,1H3
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| InChIKey |
NQNAPHMOEHXZOB-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