General Information of the Compound
| Compound ID |
CP0506979
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| Compound Name |
US8933079, 7.6
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| Structure |
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| Formula |
C21H21ClN4O3
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| Molecular Weight |
412.877
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| Canonical SMILES |
CNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C21H21ClN4O3/c1-14-7-15(9-23-2)3-6-19(14)20(27)12-26-21(28)8-18(11-25-26)29-13-17-5-4-16(22)10-24-17/h3-8,10-11,23H,9,12-13H2,1-2H3
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| InChIKey |
OCFBSCPPOAMHOM-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