General Information of the Compound
| Compound ID |
CP0400444
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| Compound Name |
US8637501, 93
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| Structure |
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| Formula |
C24H22Cl2N4O2
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| Molecular Weight |
469.372
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| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(nc12)-n1ccc(OCc2ccc(Cl)cc2Cl)cc1=O
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| InChI |
InChI=1S/C24H22Cl2N4O2/c1-29-21-3-2-9-27-13-19(21)18-6-7-22(28-24(18)29)30-10-8-17(12-23(30)31)32-14-15-4-5-16(25)11-20(15)26/h4-8,10-12,27H,2-3,9,13-14H2,1H3
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| InChIKey |
UYQLWHKTXUXOLK-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