General Information of the Compound
| Compound ID |
CP0574954
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| Compound Name |
CHEMBL4876114
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N1CCc2nn3c(C(N)=O)c([nH]c3c2C1)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H28N6O3/c1-31(2)15-6-9-23(34)32-16-14-22-21(17-32)27-29-24(25(26(28)35)33(27)30-22)18-10-12-20(13-11-18)36-19-7-4-3-5-8-19/h3-13,29H,14-17H2,1-2H3,(H2,28,35)/b9-6+
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| InChIKey |
BYKVXOMUFGIIKS-RMKNXTFCSA-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