General Information of the Compound
| Compound ID |
CP0418611
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| Compound Name |
2,3-dimethyl-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 |
C31H35N3O3S2
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| Molecular Weight |
561.773
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| Canonical SMILES |
CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(C)c1C
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| InChI |
InChI=1S/C31H35N3O3S2/c1-6-10-19(2)37-27-16-14-25(20(3)21(27)4)30(36)33-24-13-15-26-28(17-24)39-31(34-26)38-18-29(35)32-22(5)23-11-8-7-9-12-23/h7-9,11-17,19,22H,6,10,18H2,1-5H3,(H,32,35)(H,33,36)/t19?,22-/m0/s1
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| InChIKey |
XEYYAMDEXCEHCT-BPARTEKVSA-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