General Information of the Compound
| Compound ID |
CP0557344
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| Compound Name |
(2R)-1-[4-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]benzoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H40N4O4
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| Molecular Weight |
568.718
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C34H40N4O4/c1-42-30-19-18-24(21-28(30)22-14-16-23(17-15-22)33(40)37-20-8-13-29(37)32(35)39)31-26-11-6-7-12-27(26)34(41)38(36-31)25-9-4-2-3-5-10-25/h6-7,14-19,21,25-27,29H,2-5,8-13,20H2,1H3,(H2,35,39)/t26-,27+,29+/m0/s1
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| InChIKey |
WZFXKBQXAAYGKP-YIKNKFAXSA-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