General Information of the Compound
| Compound ID |
CP0871018
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| Compound Name |
4-[(2R)-4-tert-Butylpiperazine-2-carbonyl]-N-(4-cyclopropylthiazol-2-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H32N6O2S
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| Molecular Weight |
420.583
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| Canonical SMILES |
CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1
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| InChI |
InChI=1S/C20H32N6O2S/c1-20(2,3)26-7-6-21-15(12-26)17(27)24-8-10-25(11-9-24)19(28)23-18-22-16(13-29-18)14-4-5-14/h13-15,21H,4-12H2,1-3H3,(H,22,23,28)/t15-/m1/s1
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| InChIKey |
MSXGNVYEPRQYKG-OAHLLOKOSA-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