General Information of the Compound
| Compound ID |
CP0512949
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| Compound Name |
US9428456, 1.034
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
O=C(CCc1ccccc1)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C28H37N3O2/c32-27(15-14-22-8-3-1-4-9-22)29-26-13-7-10-23(20-26)21-31-18-16-24(17-19-31)28(33)30-25-11-5-2-6-12-25/h1,3-4,7-10,13,20,24-25H,2,5-6,11-12,14-19,21H2,(H,29,32)(H,30,33)
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| InChIKey |
CIJSUDVKQRGPCF-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