General Information of the Compound
| Compound ID |
CP0429133
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| Compound Name |
US9169240, 87
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| Structure |
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| Formula |
C20H14BrN5O3S
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| Molecular Weight |
484.335
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| Canonical SMILES |
BrN([C@H]1CCNC1=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C20H14BrN5O3S/c21-26(14-8-9-22-17(14)28)20-25-24-18(29-20)16(27)19-23-13-7-6-12(10-15(13)30-19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,22,28)/t14-/m0/s1
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| InChIKey |
NAZMIELRIVTECE-AWEZNQCLSA-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