General Information of the Compound
| Compound ID |
CP0578545
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| Compound Name |
2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H18N6S
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| Molecular Weight |
362.462
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| Canonical SMILES |
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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| InChI |
InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25)
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| InChIKey |
TVUWQDLBEOZVOU-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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