General Information of the Compound
| Compound ID |
CP0923124
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| Compound Name |
N-(5-Chloro-4-isopropyl-thiazol-2-yl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C19H31ClN6O2S
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| Molecular Weight |
443.017
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| Canonical SMILES |
CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl
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| InChI |
InChI=1S/C19H31ClN6O2S/c1-12(2)15-16(20)29-18(22-15)23-19(28)25-9-7-24(8-10-25)17(27)14-11-26(13(3)4)6-5-21-14/h12-14,21H,5-11H2,1-4H3,(H,22,23,28)/t14-/m1/s1
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| InChIKey |
QMBSPXRWKXXGQQ-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