General Information of the Compound
| Compound ID |
CP0529366
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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-acetamidoethyl)benzamide
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| Structure |
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| Formula |
C33H40N4O4
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| Molecular Weight |
556.707
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)NCCNC(C)=O)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C33H40N4O4/c1-22(38)34-19-20-35-32(39)24-15-13-23(14-16-24)29-21-25(17-18-30(29)41-2)31-27-11-7-8-12-28(27)33(40)37(36-31)26-9-5-3-4-6-10-26/h7-8,13-18,21,26-28H,3-6,9-12,19-20H2,1-2H3,(H,34,38)(H,35,39)/t27-,28+/m0/s1
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| InChIKey |
LJUYKZMKWAZTDA-WUFINQPMSA-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