General Information of the Compound
| Compound ID |
CP0394050
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| Compound Name |
4-[6-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
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| Structure |
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| Formula |
C19H18N4O4S
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| Molecular Weight |
398.444
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccc(cc12)[N+]([O-])=O
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| InChI |
InChI=1S/C19H18N4O4S/c20-14-1-4-16(5-2-14)28(26,27)22-12-18(13-7-9-21-10-8-13)17-6-3-15(23(24)25)11-19(17)22/h1-7,11-12,21H,8-10,20H2
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| InChIKey |
UMAPVFUJTJGQJM-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