General Information of the Compound
| Compound ID |
CP0438595
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| Compound Name |
2-Nitro-N-(4-{[(quinolin-4-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-benzenesulfonamide
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| Formula |
C24H28N4O4S
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| Molecular Weight |
468.579
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1
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| InChI |
InChI=1S/C24H28N4O4S/c29-28(30)23-7-3-4-8-24(23)33(31,32)27-16-19-11-9-18(10-12-19)15-25-17-20-13-14-26-22-6-2-1-5-21(20)22/h1-8,13-14,18-19,25,27H,9-12,15-17H2/t18-,19-
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| InChIKey |
JWYHGTVIHUDYLN-WGSAOQKQSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01795, Neuropeptide Y receptor type 5