General Information of the Compound
| Compound ID |
CP0444361
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| Compound Name |
CHEMBL4587880
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| Formula |
C25H19N3O2
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| Molecular Weight |
393.446
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| Canonical SMILES |
Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C25H19N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h2-15,26,29H,1H3
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| InChIKey |
XIBPFOOTGIAJOB-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