General Information of the Compound
| Compound ID |
CP0129731
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-3-oxo-4-propylpiperazin-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 |
C31H42F2N4O4
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| Molecular Weight |
572.697
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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]1NCCN(CCC)C1=O
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| InChI |
InChI=1S/C31H42F2N4O4/c1-5-9-36(10-6-2)30(40)23-14-20(4)13-22(18-23)29(39)35-26(17-21-15-24(32)19-25(33)16-21)28(38)27-31(41)37(11-7-3)12-8-34-27/h13-16,18-19,26-28,34,38H,5-12,17H2,1-4H3,(H,35,39)/t26-,27-,28-/m0/s1
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| InChIKey |
GKMLMHBHJMGYTA-KCHLEUMXSA-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