General Information of the Compound
| Compound ID |
CP0951288
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| Compound Name |
(3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)phenyl)(4-phenylpiperazin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C23H27ClN6O
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| Molecular Weight |
438.963
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| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)ncn1
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| InChI |
InChI=1S/C23H26N6O.ClH/c24-15-20-14-22(27-17-26-20)25-16-18-5-4-6-19(13-18)23(30)29-11-9-28(10-12-29)21-7-2-1-3-8-21;/h1-8,13-14,17H,9-12,15-16,24H2,(H,25,26,27);1H
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| InChIKey |
LQFQVIQFIGTWLR-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