General Information of the Compound
| Compound ID |
CP0496585
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| Compound Name |
1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)propyl)-3-methyl-1-p-tolylurea
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| Structure |
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| Formula |
C31H35F2N3O
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| Molecular Weight |
503.637
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| Canonical SMILES |
CN(CCCN1CCC2(CCc3ccccc23)CC1)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C31H35F2N3O/c1-23-8-10-25(11-9-23)36(26-12-13-28(32)29(33)22-26)30(37)34(2)18-5-19-35-20-16-31(17-21-35)15-14-24-6-3-4-7-27(24)31/h3-4,6-13,22H,5,14-21H2,1-2H3
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| InChIKey |
PVFBWXXUVZTKAZ-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