General Information of the Compound
| Compound ID |
CP0860489
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| Compound Name |
[2-chloro-3-(2-morpholinopyrimidin-5-yl)phenyl]methyl N-carbamimidoylcarbamate dihydrochloride
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| Structure |
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| Formula |
C17H21Cl3N6O3
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| Molecular Weight |
463.753
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| Canonical SMILES |
Cl.Cl.N=C(N)NC(=O)OCc1cccc(-c2cnc(N3CCOCC3)nc2)c1Cl
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| InChI |
InChI=1S/C17H19ClN6O3.2ClH/c18-14-11(10-27-17(25)23-15(19)20)2-1-3-13(14)12-8-21-16(22-9-12)24-4-6-26-7-5-24;;/h1-3,8-9H,4-7,10H2,(H4,19,20,23,25);2*1H
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| InChIKey |
YHAGWBYGXBRHER-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