General Information of the Compound
| Compound ID |
CP0434260
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| Compound Name |
(7S)-7-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-(4-fluorophenyl)-5-methyl-1,7-dihydropyrano[3,2-f]indazole
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| Structure |
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| Formula |
C29H27F2N3O2
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| Molecular Weight |
487.55
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| Canonical SMILES |
CC1=C([C@@H](Oc2cc3[nH]ncc3cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H27F2N3O2/c1-18-25-12-22-15-32-33-26(22)13-27(25)36-29(28(18)20-2-6-23(31)7-3-20)21-4-8-24(9-5-21)35-11-10-34-16-19(14-30)17-34/h2-9,12-13,15,19,29H,10-11,14,16-17H2,1H3,(H,32,33)/t29-/m0/s1
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| InChIKey |
ZLRLUSVDMTWYID-LJAQVGFWSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound