General Information of the Compound
| Compound ID |
CP0274689
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-pyridin-4-ylsulfonylpiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C33H41F2N5O5S
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| Molecular Weight |
657.784
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccncc1
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| InChI |
InChI=1S/C33H41F2N5O5S/c1-4-11-39(12-5-2)33(43)25-15-22(3)14-24(19-25)32(42)38-29(18-23-16-26(34)20-27(35)17-23)31(41)30-21-40(13-10-37-30)46(44,45)28-6-8-36-9-7-28/h6-9,14-17,19-20,29-31,37,41H,4-5,10-13,18,21H2,1-3H3,(H,38,42)/t29-,30+,31-/m0/s1
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| InChIKey |
MCXKQZCXENNNEH-YPKYBTACSA-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