General Information of the Compound
| Compound ID |
CP0464754
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| Compound Name |
1-Benzo[1,3]dioxol-5-ylmethyl-3-[2-(4-benzyl-piperidin-1-ylmethyl)-phenyl]-urea
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
O=C(NCc1ccc2OCOc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H31N3O3/c32-28(29-18-23-10-11-26-27(17-23)34-20-33-26)30-25-9-5-4-8-24(25)19-31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-11,17,22H,12-16,18-20H2,(H2,29,30,32)
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| InChIKey |
ZJMRSKLYKCUCRF-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