General Information of the Compound
| Compound ID |
CP0387135
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| Compound Name |
US10272079, Compound 151
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| Structure |
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| Formula |
C51H66Cl4N6O12S2
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| Molecular Weight |
1161.065
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| Canonical SMILES |
CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1
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| InChI |
InChI=1S/C51H66Cl4N6O12S2/c1-51(2,49(62)56-15-19-68-23-25-70-21-17-58-74(64,65)37-11-7-35(8-12-37)72-47-41-27-33(52)29-43(54)39(41)31-45(47)60(3)4)50(63)57-16-20-69-24-26-71-22-18-59-75(66,67)38-13-9-36(10-14-38)73-48-42-28-34(53)30-44(55)40(42)32-46(48)61(5)6/h7-14,27-30,45-48,58-59H,15-26,31-32H2,1-6H3,(H,56,62)(H,57,63)/t45-,46-,47-,48-/m0/s1
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| InChIKey |
VYNJQGSVUMGYJX-KVXOYYPDSA-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