General Information of the Compound
| Compound ID |
CP0464424
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| Compound Name |
N-[2-[2-(4-methylsulfanylphenyl)tetrazol-5-yl]phenyl]-2-nitrobenzamide
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| Structure |
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| Formula |
C21H16N6O3S
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| Molecular Weight |
432.465
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| Canonical SMILES |
CSc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C21H16N6O3S/c1-31-15-12-10-14(11-13-15)26-24-20(23-25-26)16-6-2-4-8-18(16)22-21(28)17-7-3-5-9-19(17)27(29)30/h2-13H,1H3,(H,22,28)
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| InChIKey |
RUMMIJCTDPJGKB-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2