General Information of the Compound
| Compound ID |
CP0930276
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| Compound Name |
N-(4-tert-Butyl-5-chloro-thiazol-2-yl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H33ClN6O2S
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| Molecular Weight |
457.044
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| Canonical SMILES |
CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1
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| InChI |
InChI=1S/C20H33ClN6O2S/c1-13(2)27-7-6-22-14(12-27)17(28)25-8-10-26(11-9-25)19(29)24-18-23-15(16(21)30-18)20(3,4)5/h13-14,22H,6-12H2,1-5H3,(H,23,24,29)/t14-/m1/s1
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| InChIKey |
WPVQFUBOEQWRLX-CQSZACIVSA-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