General Information of the Compound
| Compound ID |
CP0281933
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| Compound Name |
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C35H44F2N4O5
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| Molecular Weight |
638.756
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OC
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| InChI |
InChI=1S/C35H44F2N4O5/c1-6-11-41(12-7-2)35(44)28-18-26(23(3)40-46-5)17-27(19-28)34(43)39-32(16-25-13-29(36)20-30(37)14-25)33(42)22-38-21-24-9-8-10-31(15-24)45-4/h8-10,13-15,17-20,32-33,38,42H,6-7,11-12,16,21-22H2,1-5H3,(H,39,43)/b40-23-/t32-,33+/m0/s1
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| InChIKey |
HTDGFRNLFBYUEO-VOXCCCEESA-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