General Information of the Compound
| Compound ID |
CP0545800
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| Compound Name |
US9249096, 53
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| Structure |
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| Formula |
C22H21Cl3N2O3
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| Molecular Weight |
467.78
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| Canonical SMILES |
OC1=C(CN(CCc2ccccc2Cl)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H21Cl3N2O3/c23-17-6-2-1-5-15(17)9-11-27-13-16(20(28)22(27)30)21(29)26-10-3-4-14-7-8-18(24)19(25)12-14/h1-2,5-8,12,28H,3-4,9-11,13H2,(H,26,29)
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| InChIKey |
VFRWQYWGMQHDKE-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