General Information of the Compound
| Compound ID |
CP0517228
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| Compound Name |
US9469631, 31
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1C#N
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| InChI |
InChI=1S/C25H28N4O3/c1-17(2)32-25(31)28-13-10-22(11-14-28)29(21-7-8-21)24(30)19-5-3-18(4-6-19)23-9-12-27-16-20(23)15-26/h3-6,9,12,16-17,21-22H,7-8,10-11,13-14H2,1-2H3
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| InChIKey |
UJOZVMAGDNOBJF-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