General Information of the Compound
| Compound ID |
CP0569106
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| Compound Name |
N-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethyl]-3-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethylamino]-2,3-dihydroxypropanamide
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| Structure |
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| Formula |
C39H44Cl4N6O7S2
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| Molecular Weight |
914.762
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCNC(O)C(O)C(=O)NCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C39H44Cl4N6O7S2/c1-48-19-31(29-15-25(40)17-35(42)33(29)21-48)23-5-3-7-27(13-23)57(53,54)46-11-9-44-38(51)37(50)39(52)45-10-12-47-58(55,56)28-8-4-6-24(14-28)32-20-49(2)22-34-30(32)16-26(41)18-36(34)43/h3-8,13-18,31-32,37-38,44,46-47,50-51H,9-12,19-22H2,1-2H3,(H,45,52)/t31-,32-,37?,38?/m0/s1
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| InChIKey |
LZXKISAMAIKCHU-JLTGMVMASA-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