General Information of the Compound
| Compound ID |
CP0375311
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| Compound Name |
5-tert-butyl-N-[3-[(7-chloro-1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]phenyl]-2-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H23ClN6O3
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| Molecular Weight |
466.929
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| Canonical SMILES |
Cn1nc(cc1C(=O)Nc1cccc(Nc2cc3c(cc2Cl)c(=O)[nH][nH]c3=O)c1)C(C)(C)C
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| InChI |
InChI=1S/C23H23ClN6O3/c1-23(2,3)19-11-18(30(4)29-19)22(33)26-13-7-5-6-12(8-13)25-17-10-15-14(9-16(17)24)20(31)27-28-21(15)32/h5-11,25H,1-4H3,(H,26,33)(H,27,31)(H,28,32)
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| InChIKey |
ZQEBCHADYFBOIT-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