General Information of the Compound
| Compound ID |
CP0389072
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| Compound Name |
US10272079, Compound 18
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| Structure |
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| Formula |
C27H37ClN8O3
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| Molecular Weight |
557.099
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| Canonical SMILES |
NCCOCCOCCOCCN1CCN(CC1)c1ccc(cc1)-c1nc(N=C(N)N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H37ClN8O3/c28-21-3-6-24-23(19-21)25(33-27(32-24)34-26(30)31)20-1-4-22(5-2-20)36-10-8-35(9-11-36)12-14-38-16-18-39-17-15-37-13-7-29/h1-6,19H,7-18,29H2,(H4,30,31,32,33,34)
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| InChIKey |
VYKKGVOZMCEHOR-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