General Information of the Compound
| Compound ID |
CP0887764
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| Compound Name |
1-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1H-pyrazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C23H28Cl3N7O
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| Molecular Weight |
524.884
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NC1CCc2cccnc21)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C23H25N7O.3ClH/c31-23(29-20-8-7-16-4-3-10-25-22(16)20)17-14-26-30(15-17)13-12-24-11-9-21-27-18-5-1-2-6-19(18)28-21;;;/h1-6,10,14-15,20,24H,7-9,11-13H2,(H,27,28)(H,29,31);3*1H
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| InChIKey |
IONYSKYCJZBRNW-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