General Information of the Compound
| Compound ID |
CP0557234
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| Compound Name |
US9428456, 1.261
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| Structure |
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| Formula |
C24H34N4O2S
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| Molecular Weight |
442.629
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| Canonical SMILES |
Cc1nc(CC(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC(C)(C)C)c2)c(C)s1
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| InChI |
InChI=1S/C24H34N4O2S/c1-16-21(25-17(2)31-16)14-22(29)26-20-8-6-7-18(13-20)15-28-11-9-19(10-12-28)23(30)27-24(3,4)5/h6-8,13,19H,9-12,14-15H2,1-5H3,(H,26,29)(H,27,30)
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| InChIKey |
YIKXIRZZHOYOGP-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