General Information of the Compound
| Compound ID |
CP0459845
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| Compound Name |
5-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethylamino]-propyl}-1H-indole-2-carboxylic acid (4H-1lambda*4*-thiazol-2-ylmethyl)-amide
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| Structure |
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| Formula |
C25H28N4O4S
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| Molecular Weight |
480.59
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| Canonical SMILES |
C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1nccs1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
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| InChIKey |
OGINPBJQJGLWLK-CMJOXMDJSA-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