General Information of the Compound
| Compound ID |
CP0579445
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| Compound Name |
CHEMBL5197413
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| Formula |
C22H22BrN7O2
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| Molecular Weight |
496.369
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| Canonical SMILES |
COCCNC(=O)[C@H]1C[C@@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C22H22BrN7O2/c1-32-8-7-25-21(31)14-9-15(10-14)27-22-26-12-17-19(23)29-30(20(17)28-22)16-4-5-18-13(11-16)3-2-6-24-18/h2-6,11-12,14-15H,7-10H2,1H3,(H,25,31)(H,26,27,28)/t14-,15-
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| InChIKey |
XPVZNOMOFDYFHZ-SHTZXODSSA-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