General Information of the Compound
| Compound ID |
CP0555972
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| Compound Name |
US9428456, 1.305
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| Structure |
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| Formula |
C25H34N4O3
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| Molecular Weight |
438.572
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)C(=O)NC(C)(C)C)cc1NC(=O)c1cncc(C)c1
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| InChI |
InChI=1S/C25H34N4O3/c1-17-12-20(15-26-14-17)23(30)27-21-13-18(6-7-22(21)32-5)16-29-10-8-19(9-11-29)24(31)28-25(2,3)4/h6-7,12-15,19H,8-11,16H2,1-5H3,(H,27,30)(H,28,31)
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| InChIKey |
GIRMBAJMGXQJKI-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