General Information of the Compound
| Compound ID |
CP0451540
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| Compound Name |
CHEMBL4551583
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| Formula |
C27H22N4O
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| Molecular Weight |
418.5
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| Canonical SMILES |
Cc1[nH]c2c(C3=CCCC3)c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1
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| InChI |
InChI=1S/C27H22N4O/c1-17-23(21-13-14-22-20(16-21)12-7-15-28-22)27(32)31-26(29-17)24(18-8-5-6-9-18)25(30-31)19-10-3-2-4-11-19/h2-4,7-8,10-16,29H,5-6,9H2,1H3
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| InChIKey |
WDBNFAIZZSODBR-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