General Information of the Compound
| Compound ID |
CP0129733
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-3-oxopiperazin-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 |
C28H36F2N4O4
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| Molecular Weight |
530.616
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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]1NCCNC1=O
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| InChI |
InChI=1S/C28H36F2N4O4/c1-4-8-34(9-5-2)28(38)20-11-17(3)10-19(15-20)26(36)33-23(14-18-12-21(29)16-22(30)13-18)25(35)24-27(37)32-7-6-31-24/h10-13,15-16,23-25,31,35H,4-9,14H2,1-3H3,(H,32,37)(H,33,36)/t23-,24-,25-/m0/s1
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| InChIKey |
GDNDXNUOEVYPDM-SDHOMARFSA-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