General Information of the Compound
| Compound ID |
CP0511659
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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-oxo-2-(propan-2-ylamino)ethyl]benzamide
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| Structure |
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| Formula |
C34H42N4O4
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| Molecular Weight |
570.734
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(cc1)C(=O)NCC(=O)NC(C)C)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C34H42N4O4/c1-22(2)36-31(39)21-35-33(40)24-16-14-23(15-17-24)29-20-25(18-19-30(29)42-3)32-27-12-8-9-13-28(27)34(41)38(37-32)26-10-6-4-5-7-11-26/h8-9,14-20,22,26-28H,4-7,10-13,21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+/m0/s1
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| InChIKey |
FLWHFDVKYBPXAP-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