General Information of the Compound
| Compound ID |
CP0903587
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| Compound Name |
((2R,6R)-4-(1H-indole-5-carbonyl)-2,6-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C23H24FN3O3
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| Molecular Weight |
409.461
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2C)c(F)c1
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| InChI |
InChI=1S/C23H24FN3O3/c1-14-12-26(22(28)17-4-7-21-16(10-17)8-9-25-21)13-15(2)27(14)23(29)19-6-5-18(30-3)11-20(19)24/h4-11,14-15,25H,12-13H2,1-3H3/t14-,15-/m1/s1
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| InChIKey |
GZAINWUCFGBEHR-HUUCEWRRSA-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