General Information of the Compound
| Compound ID |
CP0413223
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| Compound Name |
US9428456, 1.017
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| Structure |
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| Formula |
C25H37N3O2
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| Molecular Weight |
411.59
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| Canonical SMILES |
O=C(Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1)C1CCCC1
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| InChI |
InChI=1S/C25H37N3O2/c29-24(20-8-4-5-9-20)27-23-12-6-7-19(17-23)18-28-15-13-21(14-16-28)25(30)26-22-10-2-1-3-11-22/h6-7,12,17,20-22H,1-5,8-11,13-16,18H2,(H,26,30)(H,27,29)
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| InChIKey |
PZPPUJKMJLOJCE-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