General Information of the Compound
| Compound ID |
CP0519726
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| Compound Name |
N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine
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| Structure |
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| Formula |
C16H13N3S
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| Molecular Weight |
279.368
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| Canonical SMILES |
C(Nc1nccc2[nH]c3ccccc3c12)c1cccs1
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| InChI |
InChI=1S/C16H13N3S/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-9,19H,10H2,(H,17,18)
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| InChIKey |
GTBMANUVWDTQIY-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
Protein ID: PT02463, Urotensin-2 receptor
Protein ID: PT00501, Urotensin-2 receptor