General Information of the Compound
| Compound ID |
CP0944105
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| Compound Name |
2-{1-[2-(1H-1,3-benzodiazol-2-yl)ethyl]azetidin-3-yl}-5-chloro-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H20ClFN6OS
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| Molecular Weight |
470.961
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1nc(C2CN(CCc3nc4ccccc4[nH]3)C2)sc1Cl
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| InChI |
InChI=1S/C22H20ClFN6OS/c23-20-19(21(31)26-10-17-14(24)4-3-8-25-17)29-22(32-20)13-11-30(12-13)9-7-18-27-15-5-1-2-6-16(15)28-18/h1-6,8,13H,7,9-12H2,(H,26,31)(H,27,28)
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| InChIKey |
ACGRCPUFZTZMKU-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