General Information of the Compound
| Compound ID |
CP0212906
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| Compound Name |
(R)-3-(4-chloro-2-fluorophenyl)-2-methyl-1-(4-(4-methyl-2-((S)-2-methyl-1-(2-(methylamino)ethylamino)propyl)phenyl)piperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C28H40ClFN4O
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| Molecular Weight |
503.106
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| Canonical SMILES |
CNCCN[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F
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| InChI |
InChI=1S/C28H40ClFN4O/c1-19(2)27(32-11-10-31-5)24-16-20(3)6-9-26(24)33-12-14-34(15-13-33)28(35)21(4)17-22-7-8-23(29)18-25(22)30/h6-9,16,18-19,21,27,31-32H,10-15,17H2,1-5H3/t21-,27+/m1/s1
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| InChIKey |
LPIMZWKKMREGHM-ZBLYBZFDSA-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