General Information of the Compound
| Compound ID |
CP0257194
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| Compound Name |
7-N-[4-(2-methoxyethoxy)phenyl]-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C21H28N6O2
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| Molecular Weight |
396.495
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| Canonical SMILES |
COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1
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| InChI |
InChI=1S/C21H28N6O2/c1-15-20(24-17-4-3-10-22-14-17)26-19-9-11-23-27(19)21(15)25-16-5-7-18(8-6-16)29-13-12-28-2/h5-9,11,17,22,25H,3-4,10,12-14H2,1-2H3,(H,24,26)/t17-/m0/s1
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| InChIKey |
JPEZXBCEWYKFBS-KRWDZBQOSA-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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