General Information of the Compound
| Compound ID |
CP0526100
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| Compound Name |
US9340500, I-127
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| Structure |
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| Formula |
C23H32N4O
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| Molecular Weight |
380.536
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| Canonical SMILES |
Cc1c(cc(n1CCCN1CCOCC1)C(C)(C)C)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H32N4O/c1-17-18(22-24-19-8-5-6-9-20(19)25-22)16-21(23(2,3)4)27(17)11-7-10-26-12-14-28-15-13-26/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,24,25)
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| InChIKey |
GQMUUOCEUHZZMO-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