General Information of the Compound
| Compound ID |
CP0431403
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| Compound Name |
US10272079, Compound 16
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| Structure |
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| Formula |
C25H33ClN8O2
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| Molecular Weight |
513.046
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| Canonical SMILES |
NCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(N=C(N)N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H33ClN8O2/c26-19-4-5-22-21(17-19)23(31-25(30-22)32-24(28)29)18-2-1-3-20(16-18)34-9-7-33(8-10-34)11-13-36-15-14-35-12-6-27/h1-5,16-17H,6-15,27H2,(H4,28,29,30,31,32)
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| InChIKey |
MEADUKCDSOMGAV-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: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3