General Information of the Compound
| Compound ID |
CP0532392
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| Compound Name |
US8853206, 40
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| Structure |
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| Formula |
C19H23ClN5O3+
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| Molecular Weight |
404.878
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| Canonical SMILES |
CCC(CC)Oc1ccc2[n+](CC(=O)c3cc(Cl)cc(OC)c3)nc(N)n2n1
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| InChI |
InChI=1S/C19H23ClN5O3/c1-4-14(5-2)28-17-6-7-18-24(23-19(21)25(18)22-17)11-16(26)12-8-13(20)10-15(9-12)27-3/h6-10,14H,4-5,11H2,1-3H3,(H2,21,23)/q+1
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| InChIKey |
WOQTVZMJAQRROJ-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