General Information of the Compound
| Compound ID |
CP0395009
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(2,2-diphenyl-ethyl)-urea
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| Structure |
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| Formula |
C34H37N3O
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| Molecular Weight |
503.69
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| Canonical SMILES |
O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C34H37N3O/c38-34(35-25-32(29-14-6-2-7-15-29)30-16-8-3-9-17-30)36-33-19-11-10-18-31(33)26-37-22-20-28(21-23-37)24-27-12-4-1-5-13-27/h1-19,28,32H,20-26H2,(H2,35,36,38)
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| InChIKey |
IPYSGZQQGUWCKZ-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