General Information of the Compound
| Compound ID |
CP0903077
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| Compound Name |
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H18ClN5O2
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| Molecular Weight |
383.839
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc43)c2)ncn1
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| InChI |
InChI=1S/C19H17N5O2.ClH/c20-11-15-10-17(23-12-22-15)26-16-5-1-3-14(9-16)19(25)24-8-6-13-4-2-7-21-18(13)24;/h1-5,7,9-10,12H,6,8,11,20H2;1H
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| InChIKey |
XIMDPWQOJOWUDT-UHFFFAOYSA-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