General Information of the Compound
| Compound ID |
CP0160815
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[[1-(2-hydroxyethyl)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 |
C17H20ClN7O2
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| Molecular Weight |
389.847
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| Canonical SMILES |
NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCO)c2)ncc1Cl
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| InChI |
InChI=1S/C17H20ClN7O2/c18-12-7-20-17(22-11-6-21-25(8-11)3-4-26)24-16(12)23-14-10-2-1-9(5-10)13(14)15(19)27/h1-2,6-10,13-14,26H,3-5H2,(H2,19,27)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1
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| InChIKey |
SFXBHFZUSIUICI-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