General Information of the Compound
| Compound ID |
CP0234526
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| Compound Name |
US10005782, Compound 67
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| Formula |
C25H19N5O3
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| Molecular Weight |
437.459
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| Canonical SMILES |
NC(=O)c1c(nn2c3cc(NC(=O)C=C)ccc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H19N5O3/c1-2-21(31)27-16-10-13-19-20(14-16)30-25(28-19)22(24(26)32)23(29-30)15-8-11-18(12-9-15)33-17-6-4-3-5-7-17/h2-14,28H,1H2,(H2,26,32)(H,27,31)
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| InChIKey |
DYEJNTSLXASZEI-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