General Information of the Compound
| Compound ID |
CP0449650
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| Compound Name |
methyl 3-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-3-oxopropanoate
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| Structure |
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| Formula |
C28H36N2O3
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| Molecular Weight |
448.607
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| Canonical SMILES |
COC(=O)CC(=O)NC1(CCCC1)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C28H36N2O3/c1-21-6-5-18-30(21)19-15-22-7-9-23(10-8-22)24-11-13-25(14-12-24)28(16-3-4-17-28)29-26(31)20-27(32)33-2/h7-14,21H,3-6,15-20H2,1-2H3,(H,29,31)/t21-/m1/s1
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| InChIKey |
QNKCGPKXVIIZNH-OAQYLSRUSA-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