General Information of the Compound
| Compound ID |
CP0778182
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| Compound Name |
(1R)-benzo[b]thiophen-3-yl((4aR)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl)methanol
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| Structure |
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| Formula |
C27H25FN2OS
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| Molecular Weight |
444.575
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| Canonical SMILES |
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC2[C@@H](O)c1csc2ccccc12
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| InChI |
InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23?,26-,27-/m0/s1
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| InChIKey |
GSBXDPQKEHNRQR-ZROWWJAZSA-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