General Information of the Compound
| Compound ID |
CP0452686
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| Compound Name |
2-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C32H36N6O2S
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| Molecular Weight |
568.747
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2)cc1
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| InChI |
InChI=1S/C32H36N6O2S/c1-32(2,3)23-10-8-21(9-11-23)30(40)35-25-7-5-6-22(20-25)31-36-29(27(41-31)28(33)39)34-24-12-14-26(15-13-24)38-18-16-37(4)17-19-38/h5-15,20,34H,16-19H2,1-4H3,(H2,33,39)(H,35,40)
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| InChIKey |
YDUDHCMEKOLHHK-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