General Information of the Compound
| Compound ID |
CP0161190
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| Compound Name |
N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]-3-hydroxybenzamide
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| Structure |
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| Formula |
C36H47F2N3O6S
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| Molecular Weight |
687.85
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| Canonical SMILES |
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C36H47F2N3O6S/c1-4-9-31(10-5-2)48(46,47)23-33(41-35(44)27-13-8-14-30(42)19-27)36(45)40-32(18-26-16-28(37)20-29(38)17-26)34(43)22-39-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,39,42-43H,4-6,9-10,18,21-23H2,1-3H3,(H,40,45)(H,41,44)/t32-,33+,34+/m0/s1
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| InChIKey |
QDADLDKSQPFWPK-LBFZIJHGSA-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