General Information of the Compound
| Compound ID |
CP0871024
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| Compound Name |
4-[(2R)-4-tert-Butylpiperazine-2-carbonyl]-N-(5-methoxy-4-methyl-thiazol-2-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C19H32N6O3S
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| Molecular Weight |
424.571
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| Canonical SMILES |
COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C
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| InChI |
InChI=1S/C19H32N6O3S/c1-13-16(28-5)29-17(21-13)22-18(27)24-10-8-23(9-11-24)15(26)14-12-25(7-6-20-14)19(2,3)4/h14,20H,6-12H2,1-5H3,(H,21,22,27)/t14-/m1/s1
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| InChIKey |
DNQUJUNQFGCPQX-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