General Information of the Compound
| Compound ID |
CP0232352
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| Compound Name |
5-(4-aminobutyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine;dihydrochloride
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| Structure |
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| Formula |
C18H29Cl2N5
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| Molecular Weight |
386.371
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| Canonical SMILES |
Cl.Cl.CCCCNc1nc(N)nc(c1CCCCN)-c1ccccc1
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| InChI |
InChI=1S/C18H27N5.2ClH/c1-2-3-13-21-17-15(11-7-8-12-19)16(22-18(20)23-17)14-9-5-4-6-10-14;;/h4-6,9-10H,2-3,7-8,11-13,19H2,1H3,(H3,20,21,22,23);2*1H
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| InChIKey |
AWZMSQYOXBELQK-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