General Information of the Compound
| Compound ID |
CP0145125
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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)-C-methyl-N-(2-methylpropoxy)carbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C38H50F2N4O5
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| Molecular Weight |
680.837
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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/OCC(C)C
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| InChI |
InChI=1S/C38H50F2N4O5/c1-7-12-44(13-8-2)38(47)31-19-29(26(5)43-49-24-25(3)4)18-30(20-31)37(46)42-35(17-28-14-32(39)21-33(40)15-28)36(45)23-41-22-27-10-9-11-34(16-27)48-6/h9-11,14-16,18-21,25,35-36,41,45H,7-8,12-13,17,22-24H2,1-6H3,(H,42,46)/b43-26-/t35-,36+/m0/s1
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| InChIKey |
VBJUCOJBBOEXIG-VFMGFIPGSA-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