General Information of the Compound
| Compound ID |
CP0088873
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| Compound Name |
(4-isopropylpiperazin-1-yl)(1-(methylsulfonyl)-3-(piperidin-1-ylmethyl)-1H-indol-6-yl)methanone
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| Structure |
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| Formula |
C23H34N4O3S
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| Molecular Weight |
446.617
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCCCC3)cn(c2c1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H34N4O3S/c1-18(2)25-11-13-26(14-12-25)23(28)19-7-8-21-20(16-24-9-5-4-6-10-24)17-27(22(21)15-19)31(3,29)30/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3
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| InChIKey |
GHFVTTNBOLMPRU-UHFFFAOYSA-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