General Information of the Compound
| Compound ID |
CP0105730
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| Compound Name |
N-[3-(dimethylamino)propyl]-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 |
C34H39N5O14
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| Molecular Weight |
741.707
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C27H38N4O4S/c1-30(2)16-6-17-31(24(33)13-20-35-19-12-21-7-4-3-5-8-21)18-15-28-14-11-22-9-10-23(32)25-26(22)36-27(34)29-25/h3-5,7-10,28,32H,6,11-20H2,1-2H3,(H,29,34)
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| InChIKey |
BQODWCURNDHCBT-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