General Information of the Compound
| Compound ID |
CP0469028
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| Compound Name |
(5-pyridin-3-yl-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
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| Structure |
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| Formula |
C18H14N2OS
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| Molecular Weight |
306.39
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| Canonical SMILES |
O=C(N1CCc2cc(ccc12)-c1cccnc1)c1cccs1
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| InChI |
InChI=1S/C18H14N2OS/c21-18(17-4-2-10-22-17)20-9-7-14-11-13(5-6-16(14)20)15-3-1-8-19-12-15/h1-6,8,10-12H,7,9H2
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| InChIKey |
RJCSNAJNRRXMNQ-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial