General Information of the Compound
| Compound ID |
CP0476318
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| Compound Name |
1-(2,6-diisopropylphenyl)-3-((4-(3-methoxyphenyl)-1-propylpiperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C29H43N3O2
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| Molecular Weight |
465.682
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| Canonical SMILES |
CCCN1CCC(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
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| InChI |
InChI=1S/C29H43N3O2/c1-7-16-32-17-14-29(15-18-32,23-10-8-11-24(19-23)34-6)20-30-28(33)31-27-25(21(2)3)12-9-13-26(27)22(4)5/h8-13,19,21-22H,7,14-18,20H2,1-6H3,(H2,30,31,33)
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| InChIKey |
CBQFKQDIGYVGEQ-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