General Information of the Compound
| Compound ID |
CP0135251
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| Compound Name |
(3-Chloro-phenyl)-(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine
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| Structure |
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| Formula |
C24H17ClN4
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| Molecular Weight |
396.881
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3[nH]c(c(-c4ccccc4)c23)-c2ccccc2)c1
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| InChI |
InChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
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| InChIKey |
UYXXIXVMSUKWBN-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