General Information of the Compound
| Compound ID |
CP0444358
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| Compound Name |
CHEMBL4582351
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| Formula |
C25H25N7O
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| Molecular Weight |
439.523
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| Canonical SMILES |
Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]c(N)nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C25H25N7O/c1-15-20(17-10-11-18-19(14-17)29-25(26)28-18)24(33)32-23(27-15)22(31-12-6-3-7-13-31)21(30-32)16-8-4-2-5-9-16/h2,4-5,8-11,14,27H,3,6-7,12-13H2,1H3,(H3,26,28,29)
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| InChIKey |
URPJDHQMHWHBKN-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