General Information of the Compound
| Compound ID |
CP0578377
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| Compound Name |
4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydropteridin-7-one
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| Formula |
C24H30ClN7O2
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| Molecular Weight |
484.004
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN([C@H]2C[C@@H]12)c1ncnc2NC(=O)CN(C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H30ClN7O2/c1-14(2)26-11-17(15-4-6-16(25)7-5-15)24(34)32-9-8-31(18-10-19(18)32)23-21-22(27-13-28-23)29-20(33)12-30(21)3/h4-7,13-14,17-19,26H,8-12H2,1-3H3,(H,27,28,29,33)/t17-,18+,19-/m1/s1
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| InChIKey |
VWPGAXIXIAUWJK-CEXWTWQISA-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