General Information of the Compound
| Compound ID |
CP0491376
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| Compound Name |
4-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]benzamide
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(N)=O)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C29H33N3O3/c1-35-26-17-16-21(18-25(26)19-12-14-20(15-13-19)28(30)33)27-23-10-6-7-11-24(23)29(34)32(31-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11H2,1H3,(H2,30,33)/t23-,24+/m0/s1
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| InChIKey |
DOJRVSYOJAVHFU-BJKOFHAPSA-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase