General Information of the Compound
| Compound ID |
CP0953106
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| Compound Name |
(S)-(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(3-hydroxypyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C16H19ClN4O3
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| Molecular Weight |
350.806
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CC[C@H](O)C3)c2)ncn1
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| InChI |
InChI=1S/C16H18N4O3.ClH/c17-8-12-7-15(19-10-18-12)23-14-3-1-2-11(6-14)16(22)20-5-4-13(21)9-20;/h1-3,6-7,10,13,21H,4-5,8-9,17H2;1H/t13-;/m0./s1
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| InChIKey |
IQWAIQROKZNFAG-ZOWNYOTGSA-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