General Information of the Compound
| Compound ID |
CP0537549
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| Compound Name |
2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-4-chloro-6- cyclopropoxybenzonitrile
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| Structure |
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| Formula |
C23H19ClN6O2
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| Molecular Weight |
446.898
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| Canonical SMILES |
Cn1ncc(c1-c1cc(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O
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| InChI |
InChI=1S/C23H19ClN6O2/c1-30-22(17-7-13(24)8-21(18(17)9-25)32-14-3-4-14)19(11-27-30)12-2-5-15-16(6-12)20(10-26)28-29-23(15)31/h2,5-8,11,14H,3-4,10,26H2,1H3,(H,29,31)
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| InChIKey |
CNMMZTWHDXVNBY-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