General Information of the Compound
| Compound ID |
CP0516358
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| Compound Name |
US9469631, 32
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1C#N
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| InChI |
InChI=1S/C26H28N4O3/c1-26(11-12-26)33-25(32)29-14-9-22(10-15-29)30(21-6-7-21)24(31)19-4-2-18(3-5-19)23-8-13-28-17-20(23)16-27/h2-5,8,13,17,21-22H,6-7,9-12,14-15H2,1H3
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| InChIKey |
WUSKPHZEHZVLQV-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