General Information of the Compound
| Compound ID |
CP0547416
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| Compound Name |
(2-fluoro-4-methoxyphenyl)-[(3R,5R)-4-(2-fluoro-4-propan-2-yloxybenzoyl)-3,5-dimethylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C24H28F2N2O4
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| Molecular Weight |
446.494
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c2ccc(OC(C)C)cc2F)c(F)c1
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| InChI |
InChI=1S/C24H28F2N2O4/c1-14(2)32-18-7-9-20(22(26)11-18)24(30)28-15(3)12-27(13-16(28)4)23(29)19-8-6-17(31-5)10-21(19)25/h6-11,14-16H,12-13H2,1-5H3/t15-,16-/m1/s1
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| InChIKey |
WMJSEEKCNGPSBH-HZPDHXFCSA-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