General Information of the Compound
| Compound ID |
CP0509248
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| Compound Name |
1-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-3-(3,4-difluorophenyl)-1-methyl-3-phenylurea
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| Structure |
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| Formula |
C29H31F2N3O2
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| Molecular Weight |
491.582
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| Canonical SMILES |
CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C29H31F2N3O2/c1-32(28(35)34(23-9-3-2-4-10-23)24-12-13-26(30)27(31)20-24)16-7-17-33-18-14-29(15-19-33)25-11-6-5-8-22(25)21-36-29/h2-6,8-13,20H,7,14-19,21H2,1H3
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| InChIKey |
SQORIUUNRIGPKO-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