General Information of the Compound
| Compound ID |
CP0535669
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| Compound Name |
US9464076, 25
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| Structure |
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| Formula |
C28H28N2O3S
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| Molecular Weight |
472.61
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| Canonical SMILES |
Cc1c(sc2c(cccc12)C(=O)C1CCCC1)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C28H28N2O3S/c1-16-18-12-8-13-20(24(31)17-9-4-5-10-17)26(18)34-25(16)27(32)30-23-15-21(28(2,3)33)19-11-6-7-14-22(19)29-23/h6-8,11-15,17,33H,4-5,9-10H2,1-3H3,(H,29,30,32)
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| InChIKey |
YCPIEEXDOLEHJF-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