General Information of the Compound
| Compound ID |
CP0956592
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| Compound Name |
3-[4-(Pyridin-4-yl)piperazin-1-yl]benzyl-N-carbamimidoylcarbamate trihydrochloride
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| Structure |
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| Formula |
C18H25Cl3N6O2
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| Molecular Weight |
463.797
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| Canonical SMILES |
Cl.Cl.Cl.N=C(N)NC(=O)OCc1cccc(N2CCN(c3ccncc3)CC2)c1
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| InChI |
InChI=1S/C18H22N6O2.3ClH/c19-17(20)22-18(25)26-13-14-2-1-3-16(12-14)24-10-8-23(9-11-24)15-4-6-21-7-5-15;;;/h1-7,12H,8-11,13H2,(H4,19,20,22,25);3*1H
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| InChIKey |
XJGOXNXEWPGPSL-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