General Information of the Compound
| Compound ID |
CP0563372
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| Compound Name |
US8618114, 1.2.19(4).HCl
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| Structure |
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| Formula |
C23H30N6O3S
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| Molecular Weight |
470.599
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| Canonical SMILES |
CNc1nn2c(C)c(CCC(=O)N3CCN(C)CC3)c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H30N6O3S/c1-16-19(10-11-20(30)28-14-12-27(4)13-15-28)17(2)29-23(25-16)21(22(24-3)26-29)33(31,32)18-8-6-5-7-9-18/h5-9H,10-15H2,1-4H3,(H,24,26)
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| InChIKey |
VPQBBCSZQUYDLV-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