General Information of the Compound
| Compound ID |
CP0571318
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| Compound Name |
(5S)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C24H28ClF3N6O2
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| Molecular Weight |
524.975
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)C[C@@H](c12)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H28ClF3N6O2/c1-14(2)29-12-17(15-3-5-16(25)6-4-15)23(36)34-9-7-33(8-10-34)22-20-18(24(26,27)28)11-19(35)32-21(20)30-13-31-22/h3-6,13-14,17-18,29H,7-12H2,1-2H3,(H,30,31,32,35)/t17-,18+/m1/s1
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| InChIKey |
YXJORAFRRFTOMV-MSOLQXFVSA-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