General Information of the Compound
| Compound ID |
CP0523960
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| Compound Name |
(5S)-1-(4-phenylbut-3-ynyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C33H35N3O3
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| Molecular Weight |
521.661
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| Canonical SMILES |
O=C1[C@H](Cc2ccc(OCc3ccccc3)cc2)N(CCC#Cc2ccccc2)C(=O)N1CCN1CCCC1
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| InChI |
InChI=1S/C33H35N3O3/c37-32-31(25-28-16-18-30(19-17-28)39-26-29-14-5-2-6-15-29)35(22-8-7-13-27-11-3-1-4-12-27)33(38)36(32)24-23-34-20-9-10-21-34/h1-6,11-12,14-19,31H,8-10,20-26H2/t31-/m0/s1
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| InChIKey |
MWEDDBPDJBHBFP-HKBQPEDESA-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