General Information of the Compound
| Compound ID |
CP0311000
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(2-phenylethyl)piperidin-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 |
C37H47F2N3O3
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| Molecular Weight |
619.797
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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]1C[C@@H](CCc2ccccc2)CCN1
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| InChI |
InChI=1S/C37H47F2N3O3/c1-4-15-42(16-5-2)37(45)30-18-25(3)17-29(23-30)36(44)41-34(22-28-19-31(38)24-32(39)20-28)35(43)33-21-27(13-14-40-33)12-11-26-9-7-6-8-10-26/h6-10,17-20,23-24,27,33-35,40,43H,4-5,11-16,21-22H2,1-3H3,(H,41,44)/t27-,33+,34-,35+/m0/s1
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| InChIKey |
KBVPZKQXFAMKSU-IIFCFJOHSA-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