General Information of the Compound
| Compound ID |
CP0893929
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| Compound Name |
N-(5-chloro-4-ethyl-thiazol-2-yl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C18H29ClN6O2S
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| Molecular Weight |
428.99
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| Canonical SMILES |
CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl
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| InChI |
InChI=1S/C18H29ClN6O2S/c1-4-13-15(19)28-17(21-13)22-18(27)24-9-7-23(8-10-24)16(26)14-11-25(12(2)3)6-5-20-14/h12,14,20H,4-11H2,1-3H3,(H,21,22,27)/t14-/m1/s1
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| InChIKey |
QHNQNHWPTGSAQP-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