General Information of the Compound
| Compound ID |
CP0443970
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| Compound Name |
(1'R,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cycloheptane]-1'-ol
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| Structure |
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| Formula |
C25H25FN2O
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| Molecular Weight |
388.486
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| Canonical SMILES |
O[C@@]1(CCCCC[C@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H25FN2O/c26-21-9-11-22(12-10-21)28-23-13-16-24(17-19(23)18-27-28)14-5-2-6-15-25(24,29)20-7-3-1-4-8-20/h1,3-4,7-13,16,18,29H,2,5-6,14-15,17H2/t24-,25-/m0/s1
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| InChIKey |
PUAWDVKKRWMNOX-DQEYMECFSA-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