General Information of the Compound
| Compound ID |
CP0502539
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| Compound Name |
4-[5-Benzyloxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
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| Structure |
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| Formula |
C26H25N3O3S
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| Molecular Weight |
459.571
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(OCc3ccccc3)ccc12
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| InChI |
InChI=1S/C26H25N3O3S/c27-21-6-9-23(10-7-21)33(30,31)29-17-25(20-12-14-28-15-13-20)24-16-22(8-11-26(24)29)32-18-19-4-2-1-3-5-19/h1-12,16-17,28H,13-15,18,27H2
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| InChIKey |
GINYLVVXYPBAJH-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