General Information of the Compound
| Compound ID |
CP0264987
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]piperazin-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 |
C32H41F2N5O6S
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| Molecular Weight |
661.772
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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)c1cnoc1C
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| InChI |
InChI=1S/C32H41F2N5O6S/c1-5-8-38(9-6-2)32(42)24-12-20(3)11-23(16-24)31(41)37-27(15-22-13-25(33)17-26(34)14-22)30(40)28-19-39(10-7-35-28)46(43,44)29-18-36-45-21(29)4/h11-14,16-18,27-28,30,35,40H,5-10,15,19H2,1-4H3,(H,37,41)/t27-,28+,30-/m0/s1
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| InChIKey |
JFYSYINVGNDMGK-LXQNXJGFSA-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