General Information of the Compound
| Compound ID |
CP0553290
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| Compound Name |
US9428456, 1.180
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| Structure |
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| Formula |
C26H33ClN4O2
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| Molecular Weight |
469.029
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cc(Cl)ccn2)c1
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| InChI |
InChI=1S/C26H33ClN4O2/c1-18(31-14-11-19(12-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-17-21(27)10-13-28-24/h5-6,9-10,13,16-19,22H,2-4,7-8,11-12,14-15H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
DESFFPFSGVTKKX-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