General Information of the Compound
| Compound ID |
CP0396878
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| Compound Name |
N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-2-ylethoxy)propanamide
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| Structure |
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| Formula |
C32H42N4O4S
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| Molecular Weight |
578.779
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| Canonical SMILES |
CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H42N4O4S/c1-3-35(4-2)19-20-36(18-17-33-16-13-26-11-12-28(37)30-31(26)41-32(39)34-30)29(38)15-22-40-21-14-24-9-10-25-7-5-6-8-27(25)23-24/h5-12,23,33,37H,3-4,13-22H2,1-2H3,(H,34,39)
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| InChIKey |
BSURVCPNUZUCMK-UHFFFAOYSA-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