General Information of the Compound
| Compound ID |
CP0894863
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| Compound Name |
1-(4-Isopropylbenzenesulfonyl)-5-methoxy-3-(4-methyl-[1,4]-diazepan-1-ylmethyl)-1H-indole Dihydrochloride
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| Structure |
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| Formula |
C25H35Cl2N3O3S
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| Molecular Weight |
528.546
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| Canonical SMILES |
COc1ccc2c(c1)c(CN1CCCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H33N3O3S.2ClH/c1-19(2)20-6-9-23(10-7-20)32(29,30)28-18-21(17-27-13-5-12-26(3)14-15-27)24-16-22(31-4)8-11-25(24)28;;/h6-11,16,18-19H,5,12-15,17H2,1-4H3;2*1H
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| InChIKey |
ZOVHVSOYAFHSFK-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