General Information of the Compound
| Compound ID |
CP0488700
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| Compound Name |
US9206164, 38
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| Structure |
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| Formula |
C20H18BrN5O2
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| Molecular Weight |
440.301
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2nc3cc(Br)cnc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C20H18BrN5O2/c1-11-16(8-18(27)28)12(2)26(25-11)10-13-3-5-14(6-4-13)19-23-17-7-15(21)9-22-20(17)24-19/h3-7,9H,8,10H2,1-2H3,(H,27,28)(H,22,23,24)
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| InChIKey |
WRUAIVHKDNYTOS-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