General Information of the Compound
| Compound ID |
CP0555042
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[[(1S,3S)-3-hydroxycyclopentyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H25ClFN5O3
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| Molecular Weight |
449.914
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| Canonical SMILES |
OC[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CC[C@H](O)C3)nc2C1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H25ClFN5O3/c22-16-7-12(1-4-17(16)23)19(11-29)27-21(31)28-6-5-13-9-24-20(26-18(13)10-28)25-14-2-3-15(30)8-14/h1,4,7,9,14-15,19,29-30H,2-3,5-6,8,10-11H2,(H,27,31)(H,24,25,26)/t14-,15-,19+/m0/s1
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| InChIKey |
WWICKOZEDYDNGS-YZVOILCLSA-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