General Information of the Compound
| Compound ID |
CP0512616
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| Compound Name |
US8901315, 440
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| Structure |
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| Formula |
C23H27N5O3S
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| Molecular Weight |
453.568
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| Canonical SMILES |
CN1CCN(C(=O)C1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCOCC4)c3s2)cc1
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| InChI |
InChI=1S/C23H27N5O3S/c1-15-19-13-20(32-23(19)28(25-15)18-7-11-31-12-8-18)22(30)24-16-3-5-17(6-4-16)27-10-9-26(2)14-21(27)29/h3-6,13,18H,7-12,14H2,1-2H3,(H,24,30)
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| InChIKey |
VLHRVBSFEFSWGW-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