General Information of the Compound
| Compound ID |
CP0273974
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| Compound Name |
US9163013, 17
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| Structure |
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| Formula |
C26H27N5O5
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| Molecular Weight |
489.532
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1
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| InChI |
InChI=1S/C26H27N5O5/c1-35-23-7-3-18(14-27-23)17-2-5-21-20(12-17)24(30-29-21)25(32)28-13-16-8-10-31(11-9-16)15-19-4-6-22(36-19)26(33)34/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,28,32)(H,29,30)(H,33,34)
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| InChIKey |
ZOFDKUGNFQINCC-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