General Information of the Compound
| Compound ID |
CP0264544
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| Compound Name |
N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C20H25F2N5O2
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| Molecular Weight |
405.449
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| Canonical SMILES |
CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C20H25F2N5O2/c1-3-17(13-4-5-15(21)16(22)8-13)26-20(29)27-7-6-14-9-23-19(24-12(2)11-28)25-18(14)10-27/h4-5,8-9,12,17,28H,3,6-7,10-11H2,1-2H3,(H,26,29)(H,23,24,25)/t12-,17+/m0/s1
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| InChIKey |
KZHHXCCLGNIRRE-YVEFUNNKSA-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