General Information of the Compound
| Compound ID |
CP0469360
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| Compound Name |
3-[2-(3-chlorophenyl)ethoxy]-N-[2-(diethylamino)ethyl]-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]propanamide
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| Structure |
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| Formula |
C77H94Br4N12O28S2
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| Molecular Weight |
2019.405
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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)[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)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C28H39ClN4O5S/c1-3-32(4-2)14-15-33(25(36)11-17-38-16-10-20-6-5-7-21(29)18-20)13-12-30-19-24(35)22-8-9-23(34)26-27(22)39-28(37)31-26/h5-9,18,24,30,34-35H,3-4,10-17,19H2,1-2H3,(H,31,37)/t24-/m0/s1
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| InChIKey |
GVWWLULWYPPLTA-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