General Information of the Compound
| Compound ID |
CP0833740
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| Compound Name |
(S)-4,9-Dimethoxy-14-methyl-7,8,13b,14-tetrahydroindolo-[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
COc1cccc2c1C(=O)N1CCc3c([nH]c4cccc(OC)c34)[C@H]1N2C
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| InChI |
InChI=1S/C21H21N3O3/c1-23-14-7-5-9-16(27-3)18(14)21(25)24-11-10-12-17-13(22-19(12)20(23)24)6-4-8-15(17)26-2/h4-9,20,22H,10-11H2,1-3H3/t20-/m0/s1
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| InChIKey |
FFAIVCGLKMKWII-FQEVSTJZSA-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: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
Protein ID: PT03254, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B