General Information of the Compound
| Compound ID |
CP0469358
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| Compound Name |
N-[2-(diethylamino)ethyl]-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C52H66N10O24
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| Molecular Weight |
1215.146
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)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/C28H40N4O5S/c1-3-31(4-2)16-17-32(25(35)13-19-37-18-12-21-8-6-5-7-9-21)15-14-29-20-24(34)22-10-11-23(33)26-27(22)38-28(36)30-26/h5-11,24,29,33-34H,3-4,12-20H2,1-2H3,(H,30,36)/t24-/m0/s1
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| InChIKey |
ZBLOCVNSRAUDSU-DEOSSOPVSA-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