General Information of the Compound
| Compound ID |
CP0444057
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| Compound Name |
2-methoxy-4-(2-methoxyethoxy)-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide
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| Formula |
C30H33N3O6S2
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| Molecular Weight |
595.743
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| Canonical SMILES |
COCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C
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| InChI |
InChI=1S/C30H33N3O6S2/c1-18-25(39-15-14-36-3)13-11-23(28(18)38-5)29(35)32-21-8-12-24-26(16-21)41-30(33-24)40-17-27(34)31-19(2)20-6-9-22(37-4)10-7-20/h6-13,16,19H,14-15,17H2,1-5H3,(H,31,34)(H,32,35)/t19-/m0/s1
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| InChIKey |
SEAHBPHPHKWELY-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