General Information of the Compound
| Compound ID |
CP0909891
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| Compound Name |
2-{1-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]azetidin-3-yl}-N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C24H24N6OS
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| Molecular Weight |
444.564
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| Canonical SMILES |
O=C(NC1CCc2cccnc21)c1csc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1
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| InChI |
InChI=1S/C24H24N6OS/c31-23(28-19-8-7-15-4-3-10-25-22(15)19)20-14-32-24(29-20)16-12-30(13-16)11-9-21-26-17-5-1-2-6-18(17)27-21/h1-6,10,14,16,19H,7-9,11-13H2,(H,26,27)(H,28,31)
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| InChIKey |
SHDYOCQPJBDXTH-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: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1