General Information of the Compound
| Compound ID |
CP0580070
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| Compound Name |
4-(8-azaspiro[4.5]decan-8-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
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| Structure |
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| Formula |
C21H31ClN4O
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| Molecular Weight |
390.959
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| Canonical SMILES |
Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCCC2)CC1
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| InChI |
InChI=1S/C21H30N4O.ClH/c1-2-5-15-13-23-14-17-18(15)24-20(26)16(12-22)19(17)25-10-8-21(9-11-25)6-3-4-7-21;/h15,23H,2-11,13-14H2,1H3,(H,24,26);1H
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| InChIKey |
NUHKLBBBBIRJBE-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