General Information of the Compound
| Compound ID |
CP0549767
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| Compound Name |
CHEMBL4871640
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| Formula |
C26H23N5O4
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| Molecular Weight |
469.501
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| Canonical SMILES |
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#CC)cc1
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| InChI |
InChI=1S/C26H23N5O4/c1-3-4-22(32)30-14-17(15-30)21-13-28-31-24(25(27)33)23(29-26(21)31)16-5-7-19(8-6-16)35-20-11-9-18(34-2)10-12-20/h5-13,17,29H,14-15H2,1-2H3,(H2,27,33)
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| InChIKey |
KXVYZTZYXUWNGO-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