General Information of the Compound
| Compound ID |
CP0288190
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| Compound Name |
3-[1,1-di(acetyloxymethyl)propyl]-1-(3'-cyano-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
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| Structure |
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| Formula |
C39H48N4O5
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| Molecular Weight |
652.836
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| Canonical SMILES |
CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C39H48N4O5/c1-5-39(27-47-30(3)44,28-48-31(4)45)41-38(46)43(26-34-13-15-36(16-14-34)37-8-6-7-35(23-37)24-40)22-19-32-17-20-42(21-18-32)25-33-11-9-29(2)10-12-33/h6-16,23,32H,5,17-22,25-28H2,1-4H3,(H,41,46)
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| InChIKey |
JQQNLWJEKGFILV-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