General Information of the Compound
| Compound ID |
CP0408200
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| Compound Name |
5-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C24H25ClFN5O3
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| Molecular Weight |
485.947
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| Canonical SMILES |
OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C24H25ClFN5O3/c25-17-11-14(1-2-18(17)26)22(13-32)31-8-4-19-16(23(31)33)12-21(29-19)20-3-7-27-24(30-20)28-15-5-9-34-10-6-15/h1-3,7,11-12,15,22,29,32H,4-6,8-10,13H2,(H,27,28,30)/t22-/m1/s1
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| InChIKey |
UAIBOHCHIXSQEP-JOCHJYFZSA-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