General Information of the Compound
| Compound ID |
CP0546887
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| Compound Name |
US8912224, 256
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H21N3O3S/c23-16-11-17(16)25-21(26)20-12-24-22(29-20)27-15-7-9-19-14(10-15)6-8-18(28-19)13-4-2-1-3-5-13/h1-5,7,9-10,12,16-18H,6,8,11,23H2,(H,25,26)/t16-,17-,18-/m0/s1
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| InChIKey |
DFGNCMNMKDFNQP-BZSNNMDCSA-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