General Information of the Compound
| Compound ID |
CP0081369
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-methoxypyrrolidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C29H39F2N3O4
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| Molecular Weight |
531.644
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OC
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| InChI |
InChI=1S/C29H39F2N3O4/c1-5-7-34(8-6-2)29(37)21-10-18(3)9-20(14-21)28(36)33-26(13-19-11-22(30)15-23(31)12-19)27(35)25-16-24(38-4)17-32-25/h9-12,14-15,24-27,32,35H,5-8,13,16-17H2,1-4H3,(H,33,36)/t24-,25-,26+,27-/m1/s1
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| InChIKey |
IQDCIRJRTXUGDV-JVYGEBFASA-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