General Information of the Compound
| Compound ID |
CP0025272
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| Compound Name |
3-(4-chlorophenyl)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H15Cl2N5
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| Molecular Weight |
384.27
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| Canonical SMILES |
Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)
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| InChIKey |
VMTZCKPMAFGPEN-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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