General Information of the Compound
| Compound ID |
CP0574950
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| Compound Name |
CHEMBL4866284
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| Formula |
C28H27N5O4
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| Molecular Weight |
497.555
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| Canonical SMILES |
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(CC1)C(=O)C#CC
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| InChI |
InChI=1S/C28H27N5O4/c1-3-6-24(34)32-15-13-18(14-16-32)21-17-30-33-26(27(29)35)25(31-28(21)33)19-9-11-20(12-10-19)37-23-8-5-4-7-22(23)36-2/h4-5,7-12,17-18,31H,13-16H2,1-2H3,(H2,29,35)
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| InChIKey |
ADEDRKVAYSFEMN-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