General Information of the Compound
| Compound ID |
CP0556628
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)ethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H28ClFN6O2
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| Molecular Weight |
450.946
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| Canonical SMILES |
CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNCCO)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H28ClFN6O2/c1-13(2)26-20-25-10-15-5-7-29(12-19(15)27-20)21(31)28-18(11-24-6-8-30)14-3-4-17(23)16(22)9-14/h3-4,9-10,13,18,24,30H,5-8,11-12H2,1-2H3,(H,28,31)(H,25,26,27)/t18-/m1/s1
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| InChIKey |
XMLADQRYVGCROP-GOSISDBHSA-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