General Information of the Compound
| Compound ID |
CP0465487
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| Compound Name |
US8618114, 1.2.19(3).HCl
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| Structure |
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| Formula |
C24H34N6O3S
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| Molecular Weight |
486.642
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| Canonical SMILES |
CNc1nn2c(C)c(CCC(=O)N(C)CCCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H34N6O3S/c1-17-20(13-14-21(31)29(6)16-10-15-28(4)5)18(2)30-24(26-17)22(23(25-3)27-30)34(32,33)19-11-8-7-9-12-19/h7-9,11-12H,10,13-16H2,1-6H3,(H,25,27)
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| InChIKey |
OZDJQCXGSMJMAQ-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