General Information of the Compound
| Compound ID |
CP0543850
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| Compound Name |
(5R)-4-[(3aR,6aS)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-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 |
C26H33ClN6O2
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| Molecular Weight |
497.043
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ncnc2NC(=O)C[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H33ClN6O2/c1-15(2)28-9-21(17-4-6-20(27)7-5-17)26(35)33-12-18-10-32(11-19(18)13-33)25-23-16(3)8-22(34)31-24(23)29-14-30-25/h4-7,14-16,18-19,21,28H,8-13H2,1-3H3,(H,29,30,31,34)/t16-,18-,19+,21-/m1/s1
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| InChIKey |
OWOJTYIGFIFRFV-RDPOXOKHSA-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