General Information of the Compound
| Compound ID |
CP0431195
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| Compound Name |
1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl)propyl)-1-p-tolylurea
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| Structure |
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| Formula |
C30H33F2N3O
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| Molecular Weight |
489.61
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| Canonical SMILES |
Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C30H33F2N3O/c1-22-7-9-24(10-8-22)35(25-11-12-27(31)28(32)21-25)29(36)33-17-4-18-34-19-15-30(16-20-34)14-13-23-5-2-3-6-26(23)30/h2-3,5-12,21H,4,13-20H2,1H3,(H,33,36)
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| InChIKey |
DDSVEFMFCAHZEM-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