General Information of the Compound
| Compound ID |
CP0404147
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| Compound Name |
4-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-(2-amino-2-oxoethyl)-N-methylbenzamide
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| Structure |
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| Formula |
C32H38N4O4
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| Molecular Weight |
542.68
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N(C)CC(N)=O)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C32H38N4O4/c1-35(20-29(33)37)31(38)22-15-13-21(14-16-22)27-19-23(17-18-28(27)40-2)30-25-11-7-8-12-26(25)32(39)36(34-30)24-9-5-3-4-6-10-24/h7-8,13-19,24-26H,3-6,9-12,20H2,1-2H3,(H2,33,37)/t25-,26+/m0/s1
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| InChIKey |
NWYIORJYPRTAPT-IZZNHLLZSA-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