General Information of the Compound
| Compound ID |
CP0569359
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| Compound Name |
(4aS,8aR)-2-cycloheptyl-4-[4-methoxy-3-[4-(3-oxopyrrolidine-1-carbonyl)phenyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C33H37N3O4
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| Molecular Weight |
539.676
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N1CCC(=O)C1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C33H37N3O4/c1-40-30-17-16-24(20-29(30)22-12-14-23(15-13-22)32(38)35-19-18-26(37)21-35)31-27-10-6-7-11-28(27)33(39)36(34-31)25-8-4-2-3-5-9-25/h6-7,12-17,20,25,27-28H,2-5,8-11,18-19,21H2,1H3/t27-,28+/m0/s1
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| InChIKey |
SCTHVXNZJOICRG-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