General Information of the Compound
| Compound ID |
CP0560904
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| Compound Name |
US9315518, 19-62
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| Structure |
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| Formula |
C27H38N4O3S
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| Molecular Weight |
498.693
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NC1CC(CCC1(C)C)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
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| InChI |
InChI=1S/C27H38N4O3S/c1-18-9-8-10-20(15-18)35(33,34)29-23-16-19(13-14-27(23,5)6)21-11-12-22-24(28-21)30(7)25(32)31(22)17-26(2,3)4/h8-12,15,19,23,29H,13-14,16-17H2,1-7H3
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| InChIKey |
BZBMYZGUDODILV-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