General Information of the Compound
| Compound ID |
CP0485133
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| Compound Name |
4-Phthalazin-1-yl-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
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| Structure |
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| Formula |
C23H27N5O
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| Molecular Weight |
389.503
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2nncc3ccccc23)cc1
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| InChI |
InChI=1S/C23H27N5O/c1-23(2,3)18-8-10-19(11-9-18)25-22(29)28-14-12-27(13-15-28)21-20-7-5-4-6-17(20)16-24-26-21/h4-11,16H,12-15H2,1-3H3,(H,25,29)
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| InChIKey |
BFISGDFFUCMHHU-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