General Information of the Compound
| Compound ID |
CP0563893
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| Compound Name |
US8912224, 79
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| Structure |
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| Formula |
C25H21N3O3S
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| Molecular Weight |
443.528
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| Canonical SMILES |
O=C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1ccncc1
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| InChI |
InChI=1S/C25H21N3O3S/c29-24(18-10-12-26-13-11-18)27-15-21-16-28-25(32-21)30-20-7-9-23-19(14-20)6-8-22(31-23)17-4-2-1-3-5-17/h1-5,7,9-14,16,22H,6,8,15H2,(H,27,29)
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| InChIKey |
LCTPSWIGGBPJGH-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