General Information of the Compound
| Compound ID |
CP0527985
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| Compound Name |
4-(aminomethyl)-6-(1-methyl-5-phenyl-1H- pyrazol-4-yl)phthalazin-1(2H)-one
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| Structure |
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| Formula |
C19H17N5O
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| Molecular Weight |
331.379
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| Canonical SMILES |
Cn1ncc(c1-c1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O
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| InChI |
InChI=1S/C19H17N5O/c1-24-18(12-5-3-2-4-6-12)16(11-21-24)13-7-8-14-15(9-13)17(10-20)22-23-19(14)25/h2-9,11H,10,20H2,1H3,(H,23,25)
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| InChIKey |
HOLKSORSINFXCU-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