General Information of the Compound
| Compound ID |
CP0573359
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| Compound Name |
US9163012, 33
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| Formula |
C23H27N3O3S
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| Molecular Weight |
425.554
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCCC1c1nc4ccccc4s1)C(C3)C2
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| InChI |
InChI=1S/C23H27N3O3S/c24-21(27)23-10-13-8-14(11-23)19(15(9-13)12-23)29-22(28)26-7-3-5-17(26)20-25-16-4-1-2-6-18(16)30-20/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,27)/t13?,14?,15?,17?,19-,23-
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| InChIKey |
VKGUITJLIRUTKE-WFEZEDJFSA-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