General Information of the Compound
| Compound ID |
CP0409022
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| Compound Name |
(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one
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| Structure |
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| Formula |
C33H46N6O2
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| Molecular Weight |
558.771
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| Canonical SMILES |
Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1
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| InChIKey |
BYSYEMPZKZYBNW-LJAQVGFWSA-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