General Information of the Compound
| Compound ID |
CP0553289
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| Compound Name |
US9428456, 1.164
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| Structure |
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| Formula |
C27H34ClN3O2
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| Molecular Weight |
468.041
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C27H34ClN3O2/c1-19(31-16-14-21(15-17-31)27(33)29-24-7-3-2-4-8-24)22-6-5-9-25(18-22)30-26(32)20-10-12-23(28)13-11-20/h5-6,9-13,18-19,21,24H,2-4,7-8,14-17H2,1H3,(H,29,33)(H,30,32)
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| InChIKey |
USDYXAGXVSDWSJ-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