General Information of the Compound
| Compound ID |
CP0205373
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C22H27N3O3S
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| Molecular Weight |
413.543
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(CN2CCCC2)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C22H27N3O3S/c26-18-7-6-17(21-20(18)24-22(28)29-21)19(27)13-23-9-8-15-4-3-5-16(12-15)14-25-10-1-2-11-25/h3-7,12,19,23,26-27H,1-2,8-11,13-14H2,(H,24,28)/t19-/m0/s1
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| InChIKey |
QWWLVVDOGURJDF-IBGZPJMESA-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