General Information of the Compound
| Compound ID |
CP0508480
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| Compound Name |
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-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 |
C20H23F4N5O2
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| Molecular Weight |
441.429
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| Canonical SMILES |
C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F4N5O2/c1-11(10-30)26-18-25-8-14-5-6-29(9-17(14)28-18)19(31)27-12(2)13-3-4-15(16(21)7-13)20(22,23)24/h3-4,7-8,11-12,30H,5-6,9-10H2,1-2H3,(H,27,31)(H,25,26,28)/t11-,12+/m0/s1
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| InChIKey |
PUBDIGIICIUOBQ-NWDGAFQWSA-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