General Information of the Compound
| Compound ID |
CP0579160
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| Compound Name |
2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-6-cyclopropyloxy-4-methylbenzonitrile
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| Structure |
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| Formula |
C24H22N6O2
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| Molecular Weight |
426.48
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| Canonical SMILES |
Cc1cc(OC2CC2)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O
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| InChI |
InChI=1S/C24H22N6O2/c1-13-7-18(19(10-25)22(8-13)32-15-4-5-15)23-20(12-27-30(23)2)14-3-6-16-17(9-14)21(11-26)28-29-24(16)31/h3,6-9,12,15H,4-5,11,26H2,1-2H3,(H,29,31)
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| InChIKey |
IXAVSHRHTHQMAH-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