General Information of the Compound
| Compound ID |
CP0013795
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| Compound Name |
N-[2-[[6-benzyl-2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C28H24F2N4O2
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| Molecular Weight |
486.522
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| Canonical SMILES |
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3ccccc3)cc2[nH]1
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| InChI |
InChI=1S/C28H24F2N4O2/c1-2-26(35)31-10-11-36-25-14-18(12-17-6-4-3-5-7-17)13-22-21(25)16-24(32-22)27-20-9-8-19(28(29)30)15-23(20)33-34-27/h2-9,13-16,28,32H,1,10-12H2,(H,31,35)(H,33,34)
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| InChIKey |
DHHJVKCNCRIXRE-UHFFFAOYSA-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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Table of Molecular Bioactivities Related to the Compound