General Information of the Compound
| Compound ID |
CP0395594
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| Compound Name |
7-benzyl-N,2-dimethyl-N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
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| Structure |
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| Formula |
C21H21ClN4
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| Molecular Weight |
364.88
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| Canonical SMILES |
Cl.CN(c1ccccc1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12
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| InChI |
InChI=1S/C21H20N4.ClH/c1-15-23-19-17(13-16-9-5-3-6-10-16)14-22-20(19)21(24-15)25(2)18-11-7-4-8-12-18;/h3-12,14,22H,13H2,1-2H3;1H
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| InChIKey |
OUVLUMPFWIQZSI-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