General Information of the Compound
| Compound ID |
CP0423489
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| Compound Name |
CHEMBL4549681
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| Formula |
C25H24N6O
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| Molecular Weight |
424.508
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| Canonical SMILES |
Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]cnc2c1)-c1ccccc1
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| InChI |
InChI=1S/C25H24N6O/c1-16-21(18-10-11-19-20(14-18)27-15-26-19)25(32)31-24(28-16)23(30-12-6-3-7-13-30)22(29-31)17-8-4-2-5-9-17/h2,4-5,8-11,14-15,28H,3,6-7,12-13H2,1H3,(H,26,27)
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| InChIKey |
ZLMBSLZGPFVFHS-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