General Information of the Compound
| Compound ID |
CP0549843
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| Compound Name |
1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-(methylamino)ethanone
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| Structure |
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| Formula |
C18H19Cl2N5O
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| Molecular Weight |
392.29
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| Canonical SMILES |
CNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4ccn(C)n4)c3c2C1
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| InChI |
InChI=1S/C18H19Cl2N5O/c1-21-8-15(26)25-6-4-13-11(9-25)16-10(14-3-5-24(2)23-14)7-12(19)17(20)18(16)22-13/h3,5,7,21-22H,4,6,8-9H2,1-2H3
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| InChIKey |
FXYAFKZPUXSIIR-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: PT05581, Cyclic GMP-AMP synthase
Protein ID: PT04739, Cyclic GMP-AMP synthase