General Information of the Compound
| Compound ID |
CP0466487
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| Compound Name |
US8901315, 76
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| Structure |
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| Formula |
C26H33N5O3S
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| Molecular Weight |
495.649
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| Canonical SMILES |
CN1CCN(CC1)C(=O)COc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
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| InChI |
InChI=1S/C26H33N5O3S/c1-18-22-16-23(35-26(22)31(28-18)20-6-4-3-5-7-20)25(33)27-19-8-10-21(11-9-19)34-17-24(32)30-14-12-29(2)13-15-30/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,27,33)
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| InChIKey |
QKOVIXYDABTXNL-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