General Information of the Compound
| Compound ID |
CP0482148
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| Compound Name |
(4aS,8aR)-2-cycloheptyl-4-[4-methoxy-3-[4-(3-methyl-4-oxoimidazolidine-1-carbonyl)phenyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C33H38N4O4
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| Molecular Weight |
554.691
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)N1CN(C)C(=O)C1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C33H38N4O4/c1-35-21-36(20-30(35)38)32(39)23-15-13-22(14-16-23)28-19-24(17-18-29(28)41-2)31-26-11-7-8-12-27(26)33(40)37(34-31)25-9-5-3-4-6-10-25/h7-8,13-19,25-27H,3-6,9-12,20-21H2,1-2H3/t26-,27+/m0/s1
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| InChIKey |
XDCDHGBIGTWASQ-RRPNLBNLSA-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