General Information of the Compound
| Compound ID |
CP0389178
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| Compound Name |
US10272079, Compound 11
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| Structure |
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| Formula |
C21H25ClN6O3
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| Molecular Weight |
444.923
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| Canonical SMILES |
NCCOCCOCCOc1ccc(cc1)-c1nc(N=C(N)N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H25ClN6O3/c22-15-3-6-18-17(13-15)19(27-21(26-18)28-20(24)25)14-1-4-16(5-2-14)31-12-11-30-10-9-29-8-7-23/h1-6,13H,7-12,23H2,(H4,24,25,26,27,28)
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| InChIKey |
XKMLJRVPPIXBMP-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: PT04309, Sodium/hydrogen exchanger 3
Protein ID: PT03762, Sodium/hydrogen exchanger 3