General Information of the Compound
| Compound ID |
CP0384529
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| Compound Name |
3-isopropyl-6-(3-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C22H26N2O3S
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| Molecular Weight |
398.528
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)n1c2CCN(CCc2c2ccccc12)C(C)C
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| InChI |
InChI=1S/C22H26N2O3S/c1-16(2)23-13-11-20-19-9-4-5-10-21(19)24(22(20)12-14-23)28(25,26)18-8-6-7-17(15-18)27-3/h4-10,15-16H,11-14H2,1-3H3
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| InChIKey |
LDRACNRXCQNYIU-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