General Information of the Compound
| Compound ID |
CP0332300
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| Compound Name |
3-[1,1-di(acetyloxymethyl)propyl]-1-(2'-methoxy-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
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| Structure |
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| Formula |
C39H51N3O6
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| Molecular Weight |
657.852
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| Canonical SMILES |
CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(cc1)-c1ccccc1OC
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| InChI |
InChI=1S/C39H51N3O6/c1-6-39(27-47-30(3)43,28-48-31(4)44)40-38(45)42(26-34-15-17-35(18-16-34)36-9-7-8-10-37(36)46-5)24-21-32-19-22-41(23-20-32)25-33-13-11-29(2)12-14-33/h7-18,32H,6,19-28H2,1-5H3,(H,40,45)
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| InChIKey |
JMGLEPYOGSXELD-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