General Information of the Compound
| Compound ID |
CP0501885
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| Compound Name |
5-methyl-8-(4-(piperazin-1-ylmethyl)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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| Structure |
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| Formula |
C22H23N5O
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| Molecular Weight |
373.46
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| Canonical SMILES |
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CN2CCNCC2)cc1
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| InChI |
InChI=1S/C22H23N5O/c1-15-12-21-24-25-22(28)27(21)20-13-18(6-7-19(15)20)17-4-2-16(3-5-17)14-26-10-8-23-9-11-26/h2-7,12-13,23H,8-11,14H2,1H3,(H,25,28)
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| InChIKey |
OOJBJQUQEZPXMG-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