General Information of the Compound
| Compound ID |
CP0860488
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| Compound Name |
N-(4-{2-[2-(Morpholin-4-yl)pyrimidin-5-yl]ethyl}phenyl)guanidine dihydrochloride
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| Structure |
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| Formula |
C17H24Cl2N6O
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| Molecular Weight |
399.326
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| Canonical SMILES |
Cl.Cl.N=C(N)Nc1ccc(CCc2cnc(N3CCOCC3)nc2)cc1
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| InChI |
InChI=1S/C17H22N6O.2ClH/c18-16(19)22-15-5-3-13(4-6-15)1-2-14-11-20-17(21-12-14)23-7-9-24-10-8-23;;/h3-6,11-12H,1-2,7-10H2,(H4,18,19,22);2*1H
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| InChIKey |
WPRALBPOETVACL-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