General Information of the Compound
| Compound ID |
CP0961396
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| Compound Name |
(3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)phenyl)(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C20H20ClN5O2
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| Molecular Weight |
397.866
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)N3CCc4ccncc43)c2)ncn1
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| InChI |
InChI=1S/C20H19N5O2.ClH/c21-10-17-9-19(24-13-23-17)27-12-14-2-1-3-16(8-14)20(26)25-7-5-15-4-6-22-11-18(15)25;/h1-4,6,8-9,11,13H,5,7,10,12,21H2;1H
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| InChIKey |
BFPBBFXYKIOQQS-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