General Information of the Compound
| Compound ID |
CP0575945
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| Compound Name |
US9464076, 21
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| Structure |
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| Formula |
C27H26N2O3S
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| Molecular Weight |
458.583
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| Canonical SMILES |
Cc1c(sc2c(cccc12)C(=O)C1CCC1)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C27H26N2O3S/c1-15-17-11-7-12-19(23(30)16-8-6-9-16)25(17)33-24(15)26(31)29-22-14-20(27(2,3)32)18-10-4-5-13-21(18)28-22/h4-5,7,10-14,16,32H,6,8-9H2,1-3H3,(H,28,29,31)
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| InChIKey |
YLKFHJNPCSQWFW-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