General Information of the Compound
| Compound ID |
CP0085000
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| Compound Name |
6-methyl-7-N-(2-methyl-1,3-benzothiazol-6-yl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C20H23N7S
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| Molecular Weight |
393.52
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| Canonical SMILES |
Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCCNC4)nc4ccnn34)cc2s1
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| InChI |
InChI=1S/C20H23N7S/c1-12-19(24-15-4-3-8-21-11-15)26-18-7-9-22-27(18)20(12)25-14-5-6-16-17(10-14)28-13(2)23-16/h5-7,9-10,15,21,25H,3-4,8,11H2,1-2H3,(H,24,26)/t15-/m0/s1
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| InChIKey |
MHAZFQTWVWWROD-HNNXBMFYSA-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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