General Information of the Compound
| Compound ID |
CP0552089
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| Compound Name |
(4R)-5-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one;formic acid
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| Structure |
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| Formula |
C24H31ClN6O5
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| Molecular Weight |
519.002
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| Canonical SMILES |
OC=O.CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)O[C@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H29ClN6O3.CH2O2/c1-14(2)25-12-18(16-4-6-17(24)7-5-16)22(31)30-10-8-29(9-11-30)21-19-15(3)33-23(32)28-20(19)26-13-27-21;2-1-3/h4-7,13-15,18,25H,8-12H2,1-3H3,(H,26,27,28,32);1H,(H,2,3)/t15-,18-;/m1./s1
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| InChIKey |
YIGDBQSPOIETJJ-KQKCUOLZSA-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