General Information of the Compound
| Compound ID |
CP0516937
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| Compound Name |
US9428456, 2.010
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| Structure |
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCC2CCCC2)c1
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| InChI |
InChI=1S/C26H32ClN3O2/c27-23-10-8-21(9-11-23)26(32)29-24-7-3-6-20(16-24)18-30-14-12-22(13-15-30)25(31)28-17-19-4-1-2-5-19/h3,6-11,16,19,22H,1-2,4-5,12-15,17-18H2,(H,28,31)(H,29,32)
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| InChIKey |
QWWGGUMDTREIDC-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