General Information of the Compound
| Compound ID |
CP0516318
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| Compound Name |
US9428456, 4.022
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| Structure |
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| Formula |
C24H32N4O3
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| Molecular Weight |
424.545
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| Canonical SMILES |
Cc1cc(c[n+]([O-])c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C24H32N4O3/c1-17-12-20(16-28(31)14-17)22(29)25-21-7-5-6-18(13-21)15-27-10-8-19(9-11-27)23(30)26-24(2,3)4/h5-7,12-14,16,19H,8-11,15H2,1-4H3,(H,25,29)(H,26,30)
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| InChIKey |
VMOSICWVJVBCTJ-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