General Information of the Compound
| Compound ID |
CP0465469
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| Compound Name |
1-(1-Benzyl-piperidin-4-yl)-3-[2-(4-benzyl-piperidin-1-ylmethyl)-phenyl]-urea
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| Structure |
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| Formula |
C32H40N4O
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| Molecular Weight |
496.699
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C32H40N4O/c37-32(33-30-17-21-35(22-18-30)24-28-11-5-2-6-12-28)34-31-14-8-7-13-29(31)25-36-19-15-27(16-20-36)23-26-9-3-1-4-10-26/h1-14,27,30H,15-25H2,(H2,33,34,37)
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| InChIKey |
WQBJUUITOQERMR-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3