General Information of the Compound
| Compound ID |
CP0079349
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(3-pyridin-2-ylpropylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C26H30N4O3S
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| Molecular Weight |
478.618
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C26H30N4O3S/c31-22-10-9-21(25-24(22)30-26(33)34-25)23(32)17-28-14-11-18-5-3-6-19(15-18)16-27-12-4-8-20-7-1-2-13-29-20/h1-3,5-7,9-10,13,15,23,27-28,31-32H,4,8,11-12,14,16-17H2,(H,30,33)/t23-/m0/s1
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| InChIKey |
IUPSVOSSHSTCNC-QHCPKHFHSA-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