General Information of the Compound
| Compound ID |
CP0531312
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| Compound Name |
US9428456, 2.022
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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)NCc2ccccn2)c1
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| InChI |
InChI=1S/C26H27ClN4O2/c27-22-9-7-20(8-10-22)26(33)30-23-6-3-4-19(16-23)18-31-14-11-21(12-15-31)25(32)29-17-24-5-1-2-13-28-24/h1-10,13,16,21H,11-12,14-15,17-18H2,(H,29,32)(H,30,33)
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| InChIKey |
SRJNJPQHDSHRTL-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