General Information of the Compound
| Compound ID |
CP0556626
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| Compound Name |
N-[(1S,2S)-1-(3-chloro-4-fluorophenyl)-2-hydroxybutyl]-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 |
C21H27ClFN5O2
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| Molecular Weight |
435.931
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| Canonical SMILES |
CC[C@H](O)[C@@H](NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H27ClFN5O2/c1-4-18(29)19(13-5-6-16(23)15(22)9-13)27-21(30)28-8-7-14-10-24-20(25-12(2)3)26-17(14)11-28/h5-6,9-10,12,18-19,29H,4,7-8,11H2,1-3H3,(H,27,30)(H,24,25,26)/t18-,19-/m0/s1
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| InChIKey |
CIDMHBYSVYEYNR-OALUTQOASA-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