General Information of the Compound
| Compound ID |
CP0124050
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| Compound Name |
(1S,2S,3R,4R)-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-nitropyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C16H18N8O3
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| Molecular Weight |
370.373
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| Canonical SMILES |
Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)[N+]([O-])=O)cn1
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| InChI |
InChI=1S/C16H18N8O3/c1-23-7-10(5-19-23)20-16-18-6-11(24(26)27)15(22-16)21-13-9-3-2-8(4-9)12(13)14(17)25/h2-3,5-9,12-13H,4H2,1H3,(H2,17,25)(H2,18,20,21,22)/t8-,9+,12+,13-/m1/s1
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| InChIKey |
RKUJYVCXPDDJQR-FIDNZITISA-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