General Information of the Compound
| Compound ID |
CP0518678
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| Compound Name |
US9428456, 1.055
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
Cc1cc(ccn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C26H34N4O2/c1-19-16-22(10-13-27-19)26(32)29-24-9-5-6-20(17-24)18-30-14-11-21(12-15-30)25(31)28-23-7-3-2-4-8-23/h5-6,9-10,13,16-17,21,23H,2-4,7-8,11-12,14-15,18H2,1H3,(H,28,31)(H,29,32)
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| InChIKey |
QEXZUKQZSBDNMH-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