General Information of the Compound
| Compound ID |
CP0146670
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| Compound Name |
N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C31H39F2N5O5S
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| Molecular Weight |
631.746
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| Canonical SMILES |
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C31H39F2N5O5S/c1-3-5-11-44(42,43)20-28(38-30(40)27-18-34-9-10-36-27)31(41)37-26(15-23-13-24(32)16-25(33)14-23)29(39)19-35-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,26,28-29,35,39H,3-5,11,15,17,19-20H2,1-2H3,(H,37,41)(H,38,40)/t26-,28+,29+/m0/s1
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| InChIKey |
GTUQEIQBOYMZGW-WIIGKZCBSA-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