General Information of the Compound
| Compound ID |
CP0572234
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| Compound Name |
US9428456, 1.179
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C28H34N4O2/c1-20(32-15-13-22(14-16-32)27(33)30-25-10-3-2-4-11-25)23-8-6-12-26(18-23)31-28(34)24-9-5-7-21(17-24)19-29/h5-9,12,17-18,20,22,25H,2-4,10-11,13-16H2,1H3,(H,30,33)(H,31,34)
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| InChIKey |
SQPKYQMIDXBRBH-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