General Information of the Compound
| Compound ID |
CP0529225
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| Compound Name |
[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
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| Structure |
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| Formula |
C18H19ClFN5O2
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| Molecular Weight |
391.834
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| Canonical SMILES |
Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1
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| InChI |
InChI=1S/C18H19ClFN5O2/c1-10-17(19)22-16(9-26)23-18(10)25-5-4-15(13(20)8-25)27-12-2-3-14-11(6-12)7-21-24-14/h2-3,6-7,13,15,26H,4-5,8-9H2,1H3,(H,21,24)/t13-,15+/m0/s1
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| InChIKey |
WZQXUGBZMYSQSJ-DZGCQCFKSA-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