General Information of the Compound
| Compound ID |
CP0205241
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| Compound Name |
US10005782, Compound 22
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| Structure |
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| Formula |
C25H27N5O4
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| Molecular Weight |
461.522
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| Canonical SMILES |
COCCOc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C25H27N5O4/c1-3-21(31)28-19-7-5-4-6-18(19)20-12-13-27-25-22(24(26)32)23(29-30(20)25)16-8-10-17(11-9-16)34-15-14-33-2/h3-11,20,27H,1,12-15H2,2H3,(H2,26,32)(H,28,31)
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| InChIKey |
HDOYBSYHRJWGJH-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