General Information of the Compound
| Compound ID |
CP0090492
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-[(4-methoxyphenyl)methyl]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 |
C37H47F2N3O4
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| Molecular Weight |
635.796
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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](Cc2ccc(OC)cc2)CCN1
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| InChI |
InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-34(21-27-18-30(38)23-31(39)19-27)35(43)33-20-26(11-12-40-33)17-25-7-9-32(46-4)10-8-25/h7-10,15-16,18-19,22-23,26,33-35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1
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| InChIKey |
GBUKYTVLTOIORB-NUUAREAFSA-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