General Information of the Compound
| Compound ID |
CP0577340
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| Compound Name |
US9340500, I-005
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| Structure |
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| Formula |
C26H32N4O4S
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| Molecular Weight |
496.633
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| Canonical SMILES |
CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)n(CCCN3CCOCC3)c2C)n1
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| InChI |
InChI=1S/C26H32N4O4S/c1-3-34-24(31)16-21-18-35-26(27-21)28-25(32)22-17-23(20-8-5-4-6-9-20)30(19(22)2)11-7-10-29-12-14-33-15-13-29/h4-6,8-9,17-18H,3,7,10-16H2,1-2H3,(H,27,28,32)
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| InChIKey |
PEHNFCBOSFHNLX-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