General Information of the Compound
| Compound ID |
CP0152879
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| Compound Name |
(1S,2S,3R,4R)-3-[[2-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C17H19ClN8O2
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| Molecular Weight |
402.846
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| Canonical SMILES |
NC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1
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| InChI |
InChI=1S/C17H19ClN8O2/c18-11-5-21-17(23-10-4-22-26(6-10)7-12(19)27)25-16(11)24-14-9-2-1-8(3-9)13(14)15(20)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,27)(H2,20,28)(H2,21,23,24,25)/t8-,9+,13+,14-/m1/s1
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| InChIKey |
MENUIGPUGBMCMV-OBPYKSBLSA-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