General Information of the Compound
| Compound ID |
CP0372277
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| Compound Name |
4-N-(4-bromo-2-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H13BrCl3N5
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| Molecular Weight |
497.611
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| Canonical SMILES |
Nc1nc(Nc2ccc(Br)cc2Cl)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
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| InChI |
InChI=1S/C19H13BrCl3N5/c20-10-2-4-16(15(23)6-10)26-18-13-8-12(25-17(13)27-19(24)28-18)5-9-1-3-11(21)7-14(9)22/h1-4,6-8H,5H2,(H4,24,25,26,27,28)
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| InChIKey |
KLSFLISRKPNSSL-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