General Information of the Compound
| Compound ID |
CP0564584
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| Compound Name |
1-[6,7-dichloro-9b-(2-methoxyanilino)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C20H19Cl2N3O3
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| Molecular Weight |
420.296
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| Canonical SMILES |
COc1ccccc1NC12CN(CCC1=Nc1c2ccc(Cl)c1Cl)C(=O)CO
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| InChI |
InChI=1S/C20H19Cl2N3O3/c1-28-15-5-3-2-4-14(15)24-20-11-25(17(27)10-26)9-8-16(20)23-19-12(20)6-7-13(21)18(19)22/h2-7,24,26H,8-11H2,1H3
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| InChIKey |
MCRZYNBICONWFA-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: PT04739, Cyclic GMP-AMP synthase
Protein ID: PT05581, Cyclic GMP-AMP synthase