General Information of the Compound
| Compound ID |
CP0577822
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| Compound Name |
1-(5,6-dichloro-11,14-dimethoxy-8,16,18-triazapentacyclo[7.7.4.01,9.02,7.010,15]icosa-2(7),3,5,10,12,14-hexaen-18-yl)-2-hydroxyethanone
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| Structure |
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| Formula |
C21H21Cl2N3O4
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| Molecular Weight |
450.322
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| Canonical SMILES |
COc1ccc(OC)c2c1NC13CN(CCC21Nc1c3ccc(Cl)c1Cl)C(=O)CO
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| InChI |
InChI=1S/C21H21Cl2N3O4/c1-29-13-5-6-14(30-2)19-16(13)20-7-8-26(15(28)9-27)10-21(20,25-19)11-3-4-12(22)17(23)18(11)24-20/h3-6,24-25,27H,7-10H2,1-2H3
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| InChIKey |
OEXZPWWDMPKHNY-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: PT04739, Cyclic GMP-AMP synthase
Protein ID: PT05581, Cyclic GMP-AMP synthase