General Information of the Compound
| Compound ID |
CP0392076
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| Compound Name |
2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-1-(5-ethylthiophen-2-yl)-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
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| Structure |
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| Formula |
C29H26N4O3S
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| Molecular Weight |
510.619
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| Canonical SMILES |
CCc1ccc(s1)C1N(CC(=O)c2c1[nH]c1ccccc21)c1ncc(cn1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H26N4O3S/c1-4-19-10-12-25(37-19)28-27-26(20-7-5-6-8-21(20)32-27)22(34)16-33(28)29-30-14-18(15-31-29)17-9-11-23(35-2)24(13-17)36-3/h5-15,28,32H,4,16H2,1-3H3
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| InChIKey |
WKEBNSYJGBPIKM-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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A