General Information of the Compound
| Compound ID |
CP0572009
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| Compound Name |
CHEMBL5172627
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| Formula |
C24H26BrN7O2
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| Molecular Weight |
524.423
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| Canonical SMILES |
COCCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C24H26BrN7O2/c1-34-12-11-27-23(33)15-4-6-17(7-5-15)29-24-28-14-19-21(25)31-32(22(19)30-24)18-8-9-20-16(13-18)3-2-10-26-20/h2-3,8-10,13-15,17H,4-7,11-12H2,1H3,(H,27,33)(H,28,29,30)/t15-,17-
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| InChIKey |
IWVVZFQJAAIFCX-JCNLHEQBSA-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