General Information of the Compound
| Compound ID |
CP0135267
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| Compound Name |
(S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin-3-yl)-3-(2- chloro-7-(1- methoxyethyl)pyrazo- lo[1,5-a]pyrimidin-6- yl)urea
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| Structure |
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| Formula |
C17H15Cl2N9O2
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| Molecular Weight |
448.274
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| Canonical SMILES |
CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12
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| InChI |
InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m0/s1
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| InChIKey |
GBIASRXDYFFUED-VIFPVBQESA-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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