General Information of the Compound
| Compound ID |
CP0568654
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| Compound Name |
2-methoxy-N-[2-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-4-pentan-2-yloxybenzamide
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| Structure |
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| Formula |
C32H37N3O5S2
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| Molecular Weight |
607.798
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| Canonical SMILES |
CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4cccc(OC)c4)sc3c2)c(OC)c1C
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| InChI |
InChI=1S/C32H37N3O5S2/c1-7-9-19(2)40-27-15-13-25(30(39-6)20(27)3)31(37)34-23-12-14-26-28(17-23)42-32(35-26)41-18-29(36)33-21(4)22-10-8-11-24(16-22)38-5/h8,10-17,19,21H,7,9,18H2,1-6H3,(H,33,36)(H,34,37)/t19?,21-/m0/s1
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| InChIKey |
GEAAYPAXOKOWCS-QWAKEFERSA-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