General Information of the Compound
| Compound ID |
CP0096096
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| Compound Name |
N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H21N5
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| Molecular Weight |
319.412
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| Canonical SMILES |
C1CCC(CC1)Nc1ncnc2n(\C=C\c3ccccc3)ncc12
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| InChI |
InChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11+
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| InChIKey |
QIWLXXNQCCUNRP-VAWYXSNFSA-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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