General Information of the Compound
| Compound ID |
CP0126327
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| Compound Name |
CHEMBL2036808
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| Formula |
C22H29FN6
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| Molecular Weight |
396.514
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| Canonical SMILES |
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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| InChIKey |
OGEBRHQLRGFBNV-RZDIXWSQSA-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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