General Information of the Compound
| Compound ID |
CP0526101
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| Compound Name |
US9340500, I-129
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| Structure |
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| Formula |
C20H28N4
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| Molecular Weight |
324.472
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| Canonical SMILES |
CNCCCn1c(C)c(cc1C(C)(C)C)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C20H28N4/c1-14-15(19-22-16-9-6-7-10-17(16)23-19)13-18(20(2,3)4)24(14)12-8-11-21-5/h6-7,9-10,13,21H,8,11-12H2,1-5H3,(H,22,23)
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| InChIKey |
CNHMJQYLTVXAKB-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