General Information of the Compound
| Compound ID |
CP0542744
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| Compound Name |
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-cyclopentylmethanol
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| Structure |
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| Formula |
C24H29FN2O
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| Molecular Weight |
380.507
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)C1CCCC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H29FN2O/c1-24-14-17-15-26-27(20-11-9-19(25)10-12-20)22(17)13-18(24)7-4-8-21(24)23(28)16-5-2-3-6-16/h9-13,15-16,21,23,28H,2-8,14H2,1H3/t21-,23+,24+/m1/s1
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| InChIKey |
NLRXGPDDNSKSQO-NHTMILBNSA-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