General Information of the Compound
| Compound ID |
CP0530648
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| Compound Name |
US9428456, 2.023
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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)NCc2cccnc2)c1
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| InChI |
InChI=1S/C26H27ClN4O2/c27-23-8-6-21(7-9-23)26(33)30-24-5-1-3-19(15-24)18-31-13-10-22(11-14-31)25(32)29-17-20-4-2-12-28-16-20/h1-9,12,15-16,22H,10-11,13-14,17-18H2,(H,29,32)(H,30,33)
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| InChIKey |
UTSWLDRXIGTPOH-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