General Information of the Compound
| Compound ID |
CP0463075
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| Compound Name |
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]propanamide
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| Structure |
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| Formula |
C34H34N4O2S
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| Molecular Weight |
562.739
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c4CCCCc4sc3n2)c1
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| InChI |
InChI=1S/C34H34N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-5,8-9,12-18,21,28H,6-7,10-11,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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| InChIKey |
BALWPXBAKFCKAL-NDEPHWFRSA-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