General Information of the Compound
| Compound ID |
CP0456243
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propylsulfonylpyrrolidin-2-yl]propan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C33H42F2N4O6S
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| Molecular Weight |
660.784
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)-c1ncco1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)S(=O)(=O)CCC
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| InChI |
InChI=1S/C33H42F2N4O6S/c1-4-8-39(9-5-2)33(42)24-16-22(15-23(17-24)32-36-7-10-45-32)31(41)38-29(14-21-12-25(34)18-26(35)13-21)30(40)28-19-27(20-37-28)46(43,44)11-6-3/h7,10,12-13,15-18,27-30,37,40H,4-6,8-9,11,14,19-20H2,1-3H3,(H,38,41)/t27-,28-,29+,30-/m1/s1
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| InChIKey |
YDOMJVDTZBDVFM-GKIKGMKOSA-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