General Information of the Compound
| Compound ID |
CP0560667
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| Compound Name |
US8912224, 286
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| Structure |
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| Formula |
C26H29N3O4S
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| Molecular Weight |
479.602
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| Canonical SMILES |
CN(C)CC1CN(CCO1)C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H29N3O4S/c1-28(2)16-21-17-29(12-13-31-21)25(30)24-15-27-26(34-24)32-20-9-11-23-19(14-20)8-10-22(33-23)18-6-4-3-5-7-18/h3-7,9,11,14-15,21-22H,8,10,12-13,16-17H2,1-2H3/t21?,22-/m0/s1
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| InChIKey |
DIVUFHHHVMJPLZ-KEKNWZKVSA-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