General Information of the Compound
| Compound ID |
CP0114908
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[[1-(2-morpholin-4-ylethyl)pyrazol-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 |
C21H27ClN8O2
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| Molecular Weight |
458.954
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| Canonical SMILES |
NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1Cl
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| InChI |
InChI=1S/C21H27ClN8O2/c22-16-11-24-21(26-15-10-25-30(12-15)4-3-29-5-7-32-8-6-29)28-20(16)27-18-14-2-1-13(9-14)17(18)19(23)31/h1-2,10-14,17-18H,3-9H2,(H2,23,31)(H2,24,26,27,28)/t13-,14+,17+,18-/m1/s1
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| InChIKey |
VWNWNXCVJAUZBJ-IDCJVQTKSA-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