General Information of the Compound
| Compound ID |
CP0866007
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| Compound Name |
4-Fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzamide
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| Structure |
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| Formula |
C26H25F2N3O2
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| Molecular Weight |
449.501
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| Canonical SMILES |
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cc(F)ccc1C(N)=O
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| InChI |
InChI=1S/C26H25F2N3O2/c1-25-14-17-15-30-31(21-5-2-19(27)3-6-21)23(17)13-18(25)9-11-26(25,33)10-8-16-12-20(28)4-7-22(16)24(29)32/h2-7,12-13,15,33H,8-11,14H2,1H3,(H2,29,32)/t25-,26-/m0/s1
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| InChIKey |
GPUXTAWXWZICAT-UIOOFZCWSA-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