General Information of the Compound
| Compound ID |
CP0545296
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| Compound Name |
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H32N6OS
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| Molecular Weight |
428.606
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| Canonical SMILES |
C[C@H]1CCC[C@@H](C)N1C(=O)c1sc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
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| InChI |
InChI=1S/C22H32N6OS/c1-15-5-4-6-16(2)28(15)21(29)19-20(23)25-22(30-19)24-17-7-9-18(10-8-17)27-13-11-26(3)12-14-27/h7-10,15-16H,4-6,11-14,23H2,1-3H3,(H,24,25)/t15-,16+
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| InChIKey |
BKXCJIBPKAKACH-IYBDPMFKSA-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