General Information of the Compound
| Compound ID |
CP0532711
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(ethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C18H21ClFN5O2
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| Molecular Weight |
393.85
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| Canonical SMILES |
CCNc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H21ClFN5O2/c1-2-21-17-22-8-12-5-6-25(9-15(12)23-17)18(27)24-16(10-26)11-3-4-14(20)13(19)7-11/h3-4,7-8,16,26H,2,5-6,9-10H2,1H3,(H,24,27)(H,21,22,23)/t16-/m1/s1
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| InChIKey |
AUZZMSWDOWIGBS-MRXNPFEDSA-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