General Information of the Compound
| Compound ID |
CP0577114
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| Compound Name |
(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(cyclopropylamino)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 |
C25H29ClN6O2
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| Molecular Weight |
481
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2ncnc(N3CCN([C@@H]4C[C@H]34)C(=O)[C@H](CNC3CC3)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C25H29ClN6O2/c1-14-10-21(33)30-23-22(14)24(29-13-28-23)31-8-9-32(20-11-19(20)31)25(34)18(12-27-17-6-7-17)15-2-4-16(26)5-3-15/h2-5,13-14,17-20,27H,6-12H2,1H3,(H,28,29,30,33)/t14-,18-,19+,20-/m1/s1
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| InChIKey |
DOJSODPNZWPNBR-PPRPKMEESA-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