General Information of the Compound
| Compound ID |
CP0527462
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| Compound Name |
4-Phthalazin-1-yl-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2nncc3ccccc23)cc1
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| InChI |
InChI=1S/C22H25N5O/c1-16(2)17-7-9-19(10-8-17)24-22(28)27-13-11-26(12-14-27)21-20-6-4-3-5-18(20)15-23-25-21/h3-10,15-16H,11-14H2,1-2H3,(H,24,28)
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| InChIKey |
PNAWTZIFFHPFJI-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