General Information of the Compound
| Compound ID |
CP0096095
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| Compound Name |
4-(azepan-1-yl)-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidine
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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 |
C1CCCN(CC1)c1ncnc2n(\C=C\c3ccccc3)ncc12
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| InChI |
InChI=1S/C19H21N5/c1-2-7-12-23(11-6-1)18-17-14-22-24(19(17)21-15-20-18)13-10-16-8-4-3-5-9-16/h3-5,8-10,13-15H,1-2,6-7,11-12H2/b13-10+
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| InChIKey |
LKWOWGJITRMUOK-JLHYYAGUSA-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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