General Information of the Compound
| Compound ID |
CP0561989
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| Compound Name |
CHEMBL4861061
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| Formula |
C27H27N5O4
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| Molecular Weight |
485.544
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| Canonical SMILES |
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C=C)cc1
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| InChI |
InChI=1S/C27H27N5O4/c1-3-23(33)31-14-12-17(13-15-31)22-16-29-32-25(26(28)34)24(30-27(22)32)18-4-6-20(7-5-18)36-21-10-8-19(35-2)9-11-21/h3-11,16-17,30H,1,12-15H2,2H3,(H2,28,34)
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| InChIKey |
WUNVFZQBMWUFQB-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