General Information of the Compound
| Compound ID |
CP0341780
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C17H20ClN7O
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| Molecular Weight |
373.848
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| Canonical SMILES |
CCn1cc(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/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
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| InChIKey |
WBVVEHDODCFLBV-XXSPCDMZSA-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