General Information of the Compound
| Compound ID |
CP0561247
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| Compound Name |
US9428456, 2.021
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| Structure |
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| Formula |
C26H27ClN4O2
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| Molecular Weight |
462.981
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCc2ccncc2)c1
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| InChI |
InChI=1S/C26H27ClN4O2/c27-23-6-4-21(5-7-23)26(33)30-24-3-1-2-20(16-24)18-31-14-10-22(11-15-31)25(32)29-17-19-8-12-28-13-9-19/h1-9,12-13,16,22H,10-11,14-15,17-18H2,(H,29,32)(H,30,33)
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| InChIKey |
WDXXQBBIBDCPQI-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