General Information of the Compound
| Compound ID |
CP0566270
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| Compound Name |
US9428456, 1.062
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| Structure |
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| Formula |
C26H35N5O4
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| Molecular Weight |
481.597
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| Canonical SMILES |
COc1cc(nc(OC)n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C26H35N5O4/c1-34-23-16-22(29-26(30-23)35-2)25(33)28-21-10-6-7-18(15-21)17-31-13-11-19(12-14-31)24(32)27-20-8-4-3-5-9-20/h6-7,10,15-16,19-20H,3-5,8-9,11-14,17H2,1-2H3,(H,27,32)(H,28,33)
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| InChIKey |
GCUXOGBWMCUKMF-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