General Information of the Compound
| Compound ID |
CP0472290
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| Compound Name |
US9428456, 2.032
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
OCC1(CCCC1)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C26H32ClN3O3/c27-22-8-6-20(7-9-22)24(32)28-23-5-3-4-19(16-23)17-30-14-10-21(11-15-30)25(33)29-26(18-31)12-1-2-13-26/h3-9,16,21,31H,1-2,10-15,17-18H2,(H,28,32)(H,29,33)
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| InChIKey |
YHMLHUBPCDRGHB-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