General Information of the Compound
| Compound ID |
CP0566654
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| Compound Name |
methyl 3-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethylamino]-3-oxopropanoate
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
COC(=O)CC(=O)NCCc1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C25H32N2O3/c1-19-4-3-16-27(19)17-14-21-7-11-23(12-8-21)22-9-5-20(6-10-22)13-15-26-24(28)18-25(29)30-2/h5-12,19H,3-4,13-18H2,1-2H3,(H,26,28)/t19-/m1/s1
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| InChIKey |
XAFWLFYVMGYIOM-LJQANCHMSA-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