General Information of the Compound
| Compound ID |
CP0411063
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| Compound Name |
[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C26H25Cl2N7O
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| Molecular Weight |
522.44
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)N1CCCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H25Cl2N7O/c27-18-7-9-19(10-8-18)35-23(20-5-1-2-6-21(20)28)31-22-24(29-17-30-25(22)35)32-13-15-34(16-14-32)26(36)33-11-3-4-12-33/h1-2,5-10,17H,3-4,11-16H2
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| InChIKey |
BVZHGGLIKGNVDH-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