General Information of the Compound
| Compound ID |
CP0577367
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| Compound Name |
(5R)-4-[(1S,6R)-5-[(2S)-3-amino-2-(4-chlorophenyl)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C22H25ClN6O2
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| Molecular Weight |
440.935
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2ncnc(N3CCN([C@@H]4C[C@H]34)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C22H25ClN6O2/c1-12-8-18(30)27-20-19(12)21(26-11-25-20)28-6-7-29(17-9-16(17)28)22(31)15(10-24)13-2-4-14(23)5-3-13/h2-5,11-12,15-17H,6-10,24H2,1H3,(H,25,26,27,30)/t12-,15-,16+,17-/m1/s1
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| InChIKey |
ODXLOWHHBMQSMU-VDNDLQMASA-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