General Information of the Compound
| Compound ID |
CP0426986
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| Compound Name |
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
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| Structure |
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| Formula |
C22H21FN2OS
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| Molecular Weight |
380.488
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CC[C@@H]2[C@@H](O)c1ccsc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN2OS/c1-22-11-15-12-24-25(18-5-3-17(23)4-6-18)20(15)10-16(22)2-7-19(22)21(26)14-8-9-27-13-14/h3-6,8-10,12-13,19,21,26H,2,7,11H2,1H3/t19-,21+,22+/m1/s1
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| InChIKey |
TYVSKDRIADGEGC-HJNYFJLDSA-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