General Information of the Compound
| Compound ID |
CP0563344
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| Compound Name |
US8637502, 81
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| Structure |
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| Formula |
C22H30N4O3
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| Molecular Weight |
398.507
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| Canonical SMILES |
COc1ccc2N(C3CCN(CC3)C3CCCCC\C=C/3)C(=O)CC(=O)Nc2n1
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| InChI |
InChI=1S/C22H30N4O3/c1-29-20-10-9-18-22(24-20)23-19(27)15-21(28)26(18)17-11-13-25(14-12-17)16-7-5-3-2-4-6-8-16/h5,7,9-10,16-17H,2-4,6,8,11-15H2,1H3,(H,23,24,27)/b7-5-
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| InChIKey |
YWAUKNYPCVZKBR-ALCCZGGFSA-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