General Information of the Compound
| Compound ID |
CP0309765
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| Compound Name |
1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C28H35Cl2FN4O2
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| Molecular Weight |
549.518
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
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| InChI |
InChI=1S/C28H35Cl2FN4O2/c1-18(2)14-24(32)22-17-21(31)7-8-25(22)33-10-12-34(13-11-33)28(37)26(35-9-3-4-27(35)36)15-19-5-6-20(29)16-23(19)30/h5-8,16-18,24,26H,3-4,9-15,32H2,1-2H3/t24-,26+/m0/s1
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| InChIKey |
NUALMFMLNXDIHK-AZGAKELHSA-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