General Information of the Compound
| Compound ID |
CP0854700
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| Compound Name |
1-[(4-Isopropylphenyl)sulfonyl]-4-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dihydrochloride
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| Structure |
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| Formula |
C24H33Cl2N3O3S
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| Molecular Weight |
514.519
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| Canonical SMILES |
COc1cccc2c1c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.Cl.Cl
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| InChI |
InChI=1S/C24H31N3O3S.2ClH/c1-18(2)19-8-10-21(11-9-19)31(28,29)27-17-20(16-26-14-12-25(3)13-15-26)24-22(27)6-5-7-23(24)30-4;;/h5-11,17-18H,12-16H2,1-4H3;2*1H
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| InChIKey |
LPRJLVXGSNPITB-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