General Information of the Compound
| Compound ID |
CP0550299
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| Compound Name |
(2R)-1-[4-[5-[(4aR,8aS)-4-oxo-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]benzoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O)C1=NN(C(C)C)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C30H34N4O4/c1-18(2)34-30(37)23-8-5-4-7-22(23)27(32-34)21-14-15-26(38-3)24(17-21)19-10-12-20(13-11-19)29(36)33-16-6-9-25(33)28(31)35/h4-5,10-15,17-18,22-23,25H,6-9,16H2,1-3H3,(H2,31,35)/t22-,23+,25+/m0/s1
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| InChIKey |
LAPKJYPFSPADNV-JBRSBNLGSA-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