General Information of the Compound
| Compound ID |
CP0404125
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| Compound Name |
(4aS,8aR)-4-[3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-4-methoxyphenyl]-2-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N1CC[C@@H](O)C1)C1=NN(C(C)C)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C29H33N3O4/c1-18(2)32-29(35)24-7-5-4-6-23(24)27(30-32)21-12-13-26(36-3)25(16-21)19-8-10-20(11-9-19)28(34)31-15-14-22(33)17-31/h4-5,8-13,16,18,22-24,33H,6-7,14-15,17H2,1-3H3/t22-,23+,24-/m1/s1
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| InChIKey |
UNEWFLJRNQWALM-TZRRMPRUSA-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