General Information of the Compound
| Compound ID |
CP0450767
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| Compound Name |
US8822510, 141
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| Structure |
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| Formula |
C25H25Cl2N3O4
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| Molecular Weight |
502.398
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3noc(COCC4(CCC4)c4ccc(Cl)cc4)n3)c(Cl)c2)C1
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| InChI |
InChI=1S/C25H25Cl2N3O4/c26-19-5-3-18(4-6-19)25(8-1-9-25)15-33-14-22-28-23(29-34-22)20-7-2-16(10-21(20)27)11-30-12-17(13-30)24(31)32/h2-7,10,17H,1,8-9,11-15H2,(H,31,32)
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| InChIKey |
IAPMGVGOZDJBEK-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