General Information of the Compound
| Compound ID |
CP0569793
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| Compound Name |
(4S)-5-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
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| Formula |
C24H29ClN6O3
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| Molecular Weight |
484.988
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN([C@H]2C[C@@H]12)c1ncnc2NC(=O)O[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H29ClN6O3/c1-13(2)26-11-17(15-4-6-16(25)7-5-15)23(32)31-9-8-30(18-10-19(18)31)22-20-14(3)34-24(33)29-21(20)27-12-28-22/h4-7,12-14,17-19,26H,8-11H2,1-3H3,(H,27,28,29,33)/t14-,17+,18-,19+/m0/s1
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| InChIKey |
UHWWJBSCMVJFFQ-KLIQENQMSA-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