General Information of the Compound
| Compound ID |
CP0545588
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| Compound Name |
[2-[6,7-dichloro-9b-[2-formyl-4-(trifluoromethyl)anilino]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-oxoethyl] acetate
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| Structure |
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| Formula |
C23H18Cl2F3N3O4
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| Molecular Weight |
528.314
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| Canonical SMILES |
CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(C1)Nc1ccc(cc1C=O)C(F)(F)F
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| InChI |
InChI=1S/C23H18Cl2F3N3O4/c1-12(33)35-10-19(34)31-7-6-18-22(11-31,15-3-4-16(24)20(25)21(15)29-18)30-17-5-2-14(23(26,27)28)8-13(17)9-32/h2-5,8-9,30H,6-7,10-11H2,1H3
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| InChIKey |
FEJRNIHWASZTRN-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