General Information of the Compound
| Compound ID |
CP0560123
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| Compound Name |
4-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-[2-(dimethylamino)-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C33H40N4O4
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| Molecular Weight |
556.707
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)NCC(=O)N(C)C)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C33H40N4O4/c1-36(2)30(38)21-34-32(39)23-16-14-22(15-17-23)28-20-24(18-19-29(28)41-3)31-26-12-8-9-13-27(26)33(40)37(35-31)25-10-6-4-5-7-11-25/h8-9,14-20,25-27H,4-7,10-13,21H2,1-3H3,(H,34,39)/t26-,27+/m0/s1
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| InChIKey |
NFEJTWLAGMQEHL-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