General Information of the Compound
| Compound ID |
CP0505275
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| Compound Name |
1-[6-[cyclohexylmethyl(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C26H45N5O4S
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| Molecular Weight |
523.744
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| Canonical SMILES |
O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)NCc1cccnc1
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| InChI |
InChI=1S/C26H45N5O4S/c32-26(29-22-25-11-8-12-27-21-25)28-13-6-1-2-7-20-36(33,34)31(23-24-9-4-3-5-10-24)15-14-30-16-18-35-19-17-30/h8,11-12,21,24H,1-7,9-10,13-20,22-23H2,(H2,28,29,32)
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| InChIKey |
YUNBWGFKJTXNCO-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