General Information of the Compound
| Compound ID |
CP0947460
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| Compound Name |
1-(6,7-Dichloro-9b-(1H-indol-3-yl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl)-2-hydroxyethan-1-one
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| Structure |
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| Formula |
C21H19Cl2N3O2
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| Molecular Weight |
416.308
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| Canonical SMILES |
O=C(CO)N1CCC2Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C21H19Cl2N3O2/c22-15-6-5-13-20(19(15)23)25-17-7-8-26(18(28)10-27)11-21(13,17)14-9-24-16-4-2-1-3-12(14)16/h1-6,9,17,24-25,27H,7-8,10-11H2
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| InChIKey |
MRUACNQRWUCHKC-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