General Information of the Compound
| Compound ID |
CP0576732
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| Compound Name |
4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C21H27ClN4O2
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| Molecular Weight |
402.926
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1cc[nH]c(=O)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H27ClN4O2/c1-15(2)24-14-19(16-3-5-17(22)6-4-16)21(28)26-11-9-25(10-12-26)18-7-8-23-20(27)13-18/h3-8,13,15,19,24H,9-12,14H2,1-2H3,(H,23,27)/t19-/m1/s1
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| InChIKey |
ITGRMINRBIKUOR-LJQANCHMSA-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase