General Information of the Compound
| Compound ID |
CP0969736
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| Compound Name |
Rac-trans-(3-((6-(aminomethyl)pyrimidin-4-yl)oxy)phenyl)(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C16H18ClFN4O3
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| Molecular Weight |
368.796
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2)ncn1
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| InChI |
InChI=1S/C16H17FN4O3.ClH/c17-13-7-21(8-14(13)22)16(23)10-2-1-3-12(4-10)24-15-5-11(6-18)19-9-20-15;/h1-5,9,13-14,22H,6-8,18H2;1H/t13-,14-;/m0./s1
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| InChIKey |
LMSRQJHGFYFZQC-IODNYQNNSA-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