General Information of the Compound
| Compound ID |
CP0451914
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| Compound Name |
US8912224, 100
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| Structure |
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| Formula |
C25H28N2O3S
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| Molecular Weight |
436.577
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| Canonical SMILES |
C[C@H]1CN(Cc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)C[C@@H](C)O1
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| InChI |
InChI=1S/C25H28N2O3S/c1-17-14-27(15-18(2)28-17)16-22-13-26-25(31-22)29-21-9-11-24-20(12-21)8-10-23(30-24)19-6-4-3-5-7-19/h3-7,9,11-13,17-18,23H,8,10,14-16H2,1-2H3/t17-,18+,23?
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| InChIKey |
KLJJBVMKJJASQB-NHJWOMDBSA-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