General Information of the Compound
| Compound ID |
CP0454615
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| Compound Name |
1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-thiophen-3-yl-1H-indole
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| Structure |
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| Formula |
C20H25N3S
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| Molecular Weight |
339.508
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| Canonical SMILES |
CN1CCCN(CCn2ccc3ccc(cc23)-c2ccsc2)CC1
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| InChI |
InChI=1S/C20H25N3S/c1-21-7-2-8-22(11-10-21)12-13-23-9-5-17-3-4-18(15-20(17)23)19-6-14-24-16-19/h3-6,9,14-16H,2,7-8,10-13H2,1H3
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| InChIKey |
JNDHOBPZAWAQFJ-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