General Information of the Compound
| Compound ID |
CP0477284
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| Compound Name |
2-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-N-(3-imidazol-1-ylpropyl)acetamide
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| Structure |
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| Formula |
C24H29N5O4
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| Molecular Weight |
451.527
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(CC(=O)NCCCn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C24H29N5O4/c1-32-20-9-8-17(14-21(20)33-2)23-18-6-3-4-7-19(18)24(31)29(27-23)15-22(30)26-10-5-12-28-13-11-25-16-28/h3-4,8-9,11,13-14,16,18-19H,5-7,10,12,15H2,1-2H3,(H,26,30)/t18-,19+/m0/s1
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| InChIKey |
RRNXURXVGGKEOL-RBUKOAKNSA-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