General Information of the Compound
| Compound ID |
CP0527948
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| Compound Name |
1-[9b-[3,5-bis(trifluoromethyl)anilino]-6,7-dichloro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C21H15Cl2F6N3O2
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| Molecular Weight |
526.264
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| Canonical SMILES |
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/C21H15Cl2F6N3O2/c22-14-2-1-13-18(17(14)23)30-15-3-4-32(16(34)8-33)9-19(13,15)31-12-6-10(20(24,25)26)5-11(7-12)21(27,28)29/h1-2,5-7,31,33H,3-4,8-9H2
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| InChIKey |
FQSYWYBMVONPTF-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