General Information of the Compound
| Compound ID |
CP0502995
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C30H35N7O2S
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| Molecular Weight |
557.724
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| Canonical SMILES |
CCN1CCN(Cc2ccc3c(c2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
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| InChI |
InChI=1S/C30H35N7O2S/c1-5-35-12-14-36(15-13-35)18-20-6-11-24-25(16-20)40-29-32-23(19-37(24)29)21-7-9-22(10-8-21)31-28(38)33-27-17-26(39-34-27)30(2,3)4/h6-11,16-17,19H,5,12-15,18H2,1-4H3,(H2,31,33,34,38)
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| InChIKey |
GHQAZOFJLBXOHF-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