General Information of the Compound
| Compound ID |
CP0251117
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| Compound Name |
[(2R,4S)-2-[(1R,2S)-3-(3,5-difluorophenyl)-2-[[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino]-1-hydroxypropyl]piperidin-4-yl] acetate
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| Structure |
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| Formula |
C31H41F2N3O5
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| Molecular Weight |
573.681
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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](CCN1)OC(C)=O
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| InChI |
InChI=1S/C31H41F2N3O5/c1-5-9-36(10-6-2)31(40)23-12-19(3)11-22(16-23)30(39)35-28(15-21-13-24(32)17-25(33)14-21)29(38)27-18-26(7-8-34-27)41-20(4)37/h11-14,16-17,26-29,34,38H,5-10,15,18H2,1-4H3,(H,35,39)/t26-,27+,28-,29+/m0/s1
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| InChIKey |
MORGCTFWWMNIEY-ICYKMPLBSA-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