General Information of the Compound
| Compound ID |
CP0857002
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| Compound Name |
2-fluoro-6-(2-((4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl)ethyl)-N-(1-methylcyclopropyl)benzamide
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| Structure |
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| Formula |
C30H31F2N3O2
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| Molecular Weight |
503.593
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| Canonical SMILES |
CC1(NC(=O)c2c(F)cccc2CC[C@]2(O)CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)CC1
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| InChI |
InChI=1S/C30H31F2N3O2/c1-28(14-15-28)34-27(36)26-19(4-3-5-24(26)32)10-12-30(37)13-11-21-16-25-20(17-29(21,30)2)18-33-35(25)23-8-6-22(31)7-9-23/h3-9,16,18,37H,10-15,17H2,1-2H3,(H,34,36)/t29-,30-/m0/s1
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| InChIKey |
CDBSIQRVNUKFJK-KYJUHHDHSA-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