General Information of the Compound
| Compound ID |
CP0912267
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| Compound Name |
2-{2-[(1,3-Benzoxazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C20H21Cl3FN5O2S
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| Molecular Weight |
520.845
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCc2nc3ccccc3o2)n1
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| InChI |
InChI=1S/C20H18FN5O2S.3ClH/c21-13-4-3-8-23-15(13)10-24-20(27)16-12-29-19(26-16)7-9-22-11-18-25-14-5-1-2-6-17(14)28-18;;;/h1-6,8,12,22H,7,9-11H2,(H,24,27);3*1H
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| InChIKey |
DBWCOZTYRSKMRJ-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