General Information of the Compound
| Compound ID |
CP0549733
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| Compound Name |
CHEMBL4212543
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| Formula |
C22H28BrN7O
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| Molecular Weight |
486.418
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCCO3)c2n1
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| InChI |
InChI=1S/C22H28BrN7O/c23-14-4-8-16(9-5-14)26-20-19-21(30(13-25-19)18-3-1-2-12-31-18)29-22(28-20)27-17-10-6-15(24)7-11-17/h4-5,8-9,13,15,17-18H,1-3,6-7,10-12,24H2,(H2,26,27,28,29)/t15-,17-,18?
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| InChIKey |
FPWZPHRMJWCVIL-PNQCFJQRSA-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