General Information of the Compound
| Compound ID |
CP0519011
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| Compound Name |
US9216972, 16
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)-c1onc-2c1CCc1cc(CNCCC(O)=O)ccc-21
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| InChI |
InChI=1S/C25H25N3O4/c1-15(2)31-22-8-5-18(12-19(22)13-26)25-21-7-4-17-11-16(14-27-10-9-23(29)30)3-6-20(17)24(21)28-32-25/h3,5-6,8,11-12,15,27H,4,7,9-10,14H2,1-2H3,(H,29,30)
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| InChIKey |
QYCHUEYJCMHHRE-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