General Information of the Compound
| Compound ID |
CP0465360
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| Compound Name |
N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
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| Structure |
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| Formula |
C29H31N3O3S2
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| Molecular Weight |
533.719
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| Canonical SMILES |
CCCC(C)Oc1ccc(cc1)C(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C29H31N3O3S2/c1-4-8-19(2)35-24-14-11-22(12-15-24)28(34)31-23-13-16-25-26(17-23)37-29(32-25)36-18-27(33)30-20(3)21-9-6-5-7-10-21/h5-7,9-17,19-20H,4,8,18H2,1-3H3,(H,30,33)(H,31,34)/t19?,20-/m0/s1
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| InChIKey |
POIHUEXADQOJCH-ANYOKISRSA-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