General Information of the Compound
| Compound ID |
CP0571350
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| Compound Name |
N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[[3-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-2,3-dihydroxypropanamide
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| Structure |
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| Formula |
C51H68Cl4N6O13S2
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| Molecular Weight |
1179.08
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| Canonical SMILES |
CN1C[C@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCOCCNS(=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/C51H68Cl4N6O13S2/c1-60-31-43(41-27-37(52)29-47(54)45(41)33-60)35-5-3-7-39(25-35)75(65,66)58-11-15-71-19-23-73-21-17-69-13-9-56-50(63)49(62)51(64)57-10-14-70-18-22-74-24-20-72-16-12-59-76(67,68)40-8-4-6-36(26-40)44-32-61(2)34-46-42(44)28-38(53)30-48(46)55/h3-8,25-30,43-44,49-50,56,58-59,62-63H,9-24,31-34H2,1-2H3,(H,57,64)/t43-,44+,49?,50?/m1/s1
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| InChIKey |
XZINBWWCZGRBRS-VHPPFZBMSA-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