General Information of the Compound
| Compound ID |
CP0491112
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| Compound Name |
US8802663, 96
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| Structure |
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| Formula |
C25H31N5O4
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| Molecular Weight |
465.554
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| Canonical SMILES |
CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C1CCOCC1
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| InChI |
InChI=1S/C25H31N5O4/c1-16(2)12-30-22(18-7-9-33-10-8-18)21(11-26-30)24-27-23(28-34-24)19-5-3-17(4-6-19)13-29-14-20(15-29)25(31)32/h3-6,11,16,18,20H,7-10,12-15H2,1-2H3,(H,31,32)
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| InChIKey |
VFEDEXVFCRFEQD-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