General Information of the Compound
| Compound ID |
CP0210498
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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]-4-methoxybenzamide
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| Structure |
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| Formula |
C37H49F2N3O6S
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| Molecular Weight |
701.877
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| Canonical SMILES |
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C37H49F2N3O6S/c1-5-9-32(10-6-2)49(46,47)24-34(42-36(44)28-13-15-31(48-4)16-14-28)37(45)41-33(20-27-18-29(38)21-30(39)19-27)35(43)23-40-22-26-12-8-11-25(7-3)17-26/h8,11-19,21,32-35,40,43H,5-7,9-10,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1
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| InChIKey |
YBJGTORHNOALQH-BMPTZRATSA-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