General Information of the Compound
| Compound ID |
CP0397321
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| Compound Name |
3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)propyl)-1-(3-fluorophenyl)-1-p-tolylurea
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| Structure |
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| Formula |
C30H34FN3O
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| Molecular Weight |
471.62
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| Canonical SMILES |
Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C30H34FN3O/c1-23-10-12-26(13-11-23)34(27-8-4-7-25(31)22-27)29(35)32-18-5-19-33-20-16-30(17-21-33)15-14-24-6-2-3-9-28(24)30/h2-4,6-13,22H,5,14-21H2,1H3,(H,32,35)
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| InChIKey |
PYGPEGZKDLTLHJ-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