General Information of the Compound
| Compound ID |
CP0490883
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| Compound Name |
N-(3-aminopropyl)-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C76H92N10O25S2
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| Molecular Weight |
1609.751
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| Canonical SMILES |
CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)
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| InChIKey |
RBDZECKGFOVRHO-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