General Information of the Compound
| Compound ID |
CP0474041
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| Compound Name |
3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)propyl)-1,1-dip-tolylurea
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| Structure |
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| Formula |
C31H37N3O
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| Molecular Weight |
467.657
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| Canonical SMILES |
Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(C)cc1
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| InChI |
InChI=1S/C31H37N3O/c1-24-8-12-27(13-9-24)34(28-14-10-25(2)11-15-28)30(35)32-20-5-21-33-22-18-31(19-23-33)17-16-26-6-3-4-7-29(26)31/h3-4,6-15H,5,16-23H2,1-2H3,(H,32,35)
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| InChIKey |
KWMMLXRVWDEIDY-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1