General Information of the Compound
| Compound ID |
CP0527945
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| Compound Name |
[2-[9b-[3,5-bis(trifluoromethyl)anilino]-6,7-dichloro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-oxoethyl] acetate
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| Structure |
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| Formula |
C23H17Cl2F6N3O3
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| Molecular Weight |
568.301
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| Canonical SMILES |
CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(C1)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H17Cl2F6N3O3/c1-11(35)37-9-18(36)34-5-4-17-21(10-34,15-2-3-16(24)19(25)20(15)32-17)33-14-7-12(22(26,27)28)6-13(8-14)23(29,30)31/h2-3,6-8,33H,4-5,9-10H2,1H3
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| InChIKey |
MFVZCSQUWYSGQH-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