General Information of the Compound
| Compound ID |
CP0517174
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| Compound Name |
US8901315, 109
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| Structure |
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| Formula |
C23H30N6OS
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| Molecular Weight |
438.601
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
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| InChI |
InChI=1S/C23H30N6OS/c1-16-19-14-20(31-23(19)29(26-16)18-6-4-3-5-7-18)22(30)25-17-8-9-21(24-15-17)28-12-10-27(2)11-13-28/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,25,30)
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| InChIKey |
CFUITCCHCBGGSV-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