General Information of the Compound
| Compound ID |
CP0374139
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| Compound Name |
1-{2-[(1S)-(Methylaminoethyl)amino-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
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| Structure |
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| Formula |
C27H38ClFN4O
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| Molecular Weight |
489.079
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| Canonical SMILES |
CNCCN[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H38ClFN4O/c1-19(2)25(31-13-12-30-4)23-6-5-7-24(29)26(23)32-14-16-33(17-15-32)27(34)20(3)18-21-8-10-22(28)11-9-21/h5-11,19-20,25,30-31H,12-18H2,1-4H3/t20-,25+/m1/s1
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| InChIKey |
UPPWDLKGVZSHCS-NLFFAJNJSA-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