General Information of the Compound
| Compound ID |
CP0418440
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| Compound Name |
N-cyclopropyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C24H22N2O4
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| Molecular Weight |
402.45
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| Canonical SMILES |
O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N(Cc1ccco1)C1CC1
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| InChI |
InChI=1S/C24H22N2O4/c27-21(26(17-11-12-17)15-18-7-4-14-30-18)10-3-13-25-23(28)19-8-1-5-16-6-2-9-20(22(16)19)24(25)29/h1-2,4-9,14,17H,3,10-13,15H2
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| InChIKey |
WZHUFVUXLFXDDP-UHFFFAOYSA-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