General Information of the Compound
| Compound ID |
CP0515221
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| Compound Name |
US9469631, 96
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| Structure |
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| Formula |
C26H33N3O4
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| Molecular Weight |
451.567
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)28-15-13-22(14-16-28)29(21-10-11-21)24(30)19-7-5-18(6-8-19)20-9-12-23(32-4)27-17-20/h5-9,12,17,21-22H,10-11,13-16H2,1-4H3
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| InChIKey |
KGAPPUODMOIFCZ-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