General Information of the Compound
| Compound ID |
CP0554794
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| Compound Name |
US9428456, 1.335
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| Structure |
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| Formula |
C21H31N3O2
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| Molecular Weight |
357.498
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| Canonical SMILES |
C\C=C\C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C21H31N3O2/c1-5-7-19(25)22-18-9-6-8-16(14-18)15-24-12-10-17(11-13-24)20(26)23-21(2,3)4/h5-9,14,17H,10-13,15H2,1-4H3,(H,22,25)(H,23,26)/b7-5+
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| InChIKey |
MZCNOTIDWAXVDJ-FNORWQNLSA-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