General Information of the Compound
| Compound ID |
CP0931230
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| Compound Name |
((2R,6R)-2,6-dimethyl-4-(2-methyl-1H-indole-6-carbonyl)piperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C24H26FN3O3
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| Molecular Weight |
423.488
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4cc(C)[nH]c4c3)C[C@H]2C)c(F)c1
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| InChI |
InChI=1S/C24H26FN3O3/c1-14-9-17-5-6-18(10-22(17)26-14)23(29)27-12-15(2)28(16(3)13-27)24(30)20-8-7-19(31-4)11-21(20)25/h5-11,15-16,26H,12-13H2,1-4H3/t15-,16-/m1/s1
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| InChIKey |
JDELRJPMXYHEDY-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