General Information of the Compound
| Compound ID |
CP0548727
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| Compound Name |
US8912224, 288
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| Structure |
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| Formula |
C24H24N2O3S
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| Molecular Weight |
420.534
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| Canonical SMILES |
O=C(N1CCCCC1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H24N2O3S/c27-23(26-13-5-2-6-14-26)22-16-25-24(30-22)28-19-10-12-21-18(15-19)9-11-20(29-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,12,15-16,20H,2,5-6,9,11,13-14H2/t20-/m0/s1
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| InChIKey |
AHNRYRMCWPICBG-FQEVSTJZSA-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