General Information of the Compound
| Compound ID |
CP0369289
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| Compound Name |
1-[4-[3-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H30FN5O4
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| Molecular Weight |
471.533
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| Canonical SMILES |
CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
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| InChI |
InChI=1S/C24H30FN5O4/c1-2-24(33,18-8-9-20(25)21(13-18)34-15-17-6-7-17)16-30-19(14-26-28-30)5-3-4-11-29-12-10-22(31)27-23(29)32/h8-10,12-14,17,33H,2-7,11,15-16H2,1H3,(H,27,31,32)/t24-/m1/s1
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| InChIKey |
AJBAZWSWGWVORO-XMMPIXPASA-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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