General Information of the Compound
| Compound ID |
CP0555570
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| Compound Name |
US9428456, 1.014
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccccc3)c2)CC1
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| InChI |
InChI=1S/C26H33N3O2/c30-25(21-9-3-1-4-10-21)28-24-13-7-8-20(18-24)19-29-16-14-22(15-17-29)26(31)27-23-11-5-2-6-12-23/h1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2,(H,27,31)(H,28,30)
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| InChIKey |
HIFRNNPTJMGJRD-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