General Information of the Compound
| Compound ID |
CP0657679
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| Compound Name |
SID22401339
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| Structure |
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| Formula |
C22H18BrClN4O3
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| Molecular Weight |
501.768
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| Canonical SMILES |
Br.N=c1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H17ClN4O3.BrH/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30;/h1-12,24H,13-14H2;1H
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| InChIKey |
PYZVDFZBLAUSMR-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