General Information of the Compound
| Compound ID |
CP0483276
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| Compound Name |
US8933079, 9.4
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
CNCc1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C22H24N4O4/c1-15-8-16(10-23-2)4-7-20(15)21(27)13-26-22(28)9-19(12-25-26)30-14-17-5-6-18(29-3)11-24-17/h4-9,11-12,23H,10,13-14H2,1-3H3
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| InChIKey |
FLTSKMOUOHOQGD-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