General Information of the Compound
| Compound ID |
CP0576731
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| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[6-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
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| Structure |
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| Formula |
C22H30ClN5O2
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| Molecular Weight |
431.968
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc(CO)c1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H30ClN5O2/c1-15(2)24-12-19(17-4-6-18(23)7-5-17)22(30)28-10-8-27(9-11-28)21-16(3)20(13-29)25-14-26-21/h4-7,14-15,19,24,29H,8-13H2,1-3H3/t19-/m1/s1
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| InChIKey |
SIXTXNYBKUMTCG-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