General Information of the Compound
| Compound ID |
CP0577717
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| Compound Name |
US9428456, 2.040
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
CCC(CC)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C25H34N4O2/c1-4-22(5-2)27-24(30)20-9-11-29(12-10-20)17-19-7-6-8-23(14-19)28-25(31)21-13-18(3)15-26-16-21/h6-8,13-16,20,22H,4-5,9-12,17H2,1-3H3,(H,27,30)(H,28,31)
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| InChIKey |
WJTNMGPCDFVTPW-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