General Information of the Compound
| Compound ID |
CP0550842
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| Compound Name |
N-[(3-chloro-4-fluorophenyl)methyl]-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 |
C18H21ClFN5O
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| Molecular Weight |
377.851
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| Canonical SMILES |
CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NCc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H21ClFN5O/c1-11(2)23-17-21-9-13-5-6-25(10-16(13)24-17)18(26)22-8-12-3-4-15(20)14(19)7-12/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,22,26)(H,21,23,24)
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| InChIKey |
HIKUZKHUGJNFDZ-UHFFFAOYSA-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