General Information of the Compound
| Compound ID |
CP0512315
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| Compound Name |
US9340500, I-029
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| Structure |
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
CC(C)c1cccc(NC(=O)c2cc(-c3ccccc3)n(CCCN3CCOCC3)c2C)c1
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| InChI |
InChI=1S/C28H35N3O2/c1-21(2)24-11-7-12-25(19-24)29-28(32)26-20-27(23-9-5-4-6-10-23)31(22(26)3)14-8-13-30-15-17-33-18-16-30/h4-7,9-12,19-21H,8,13-18H2,1-3H3,(H,29,32)
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| InChIKey |
JAVSMUVFNKZROB-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