General Information of the Compound
| Compound ID |
CP0307442
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-propylpiperidin-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 |
C32H45F2N3O3
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| Molecular Weight |
557.726
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| Canonical SMILES |
CCC[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC
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| InChI |
InChI=1S/C32H45F2N3O3/c1-5-8-22-9-10-35-28(17-22)30(38)29(18-23-15-26(33)20-27(34)16-23)36-31(39)24-13-21(4)14-25(19-24)32(40)37(11-6-2)12-7-3/h13-16,19-20,22,28-30,35,38H,5-12,17-18H2,1-4H3,(H,36,39)/t22-,28+,29-,30+/m0/s1
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| InChIKey |
MMSXGVAPNNIHSW-GEYQZXRLSA-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