General Information of the Compound
| Compound ID |
CP0319027
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| Compound Name |
(R)-(2,5-Dichloro-thiophen-3-yl)-[(4aR,5S)-1-(4-fluoro-phenyl)-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 |
C23H21Cl2FN2OS
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| Molecular Weight |
463.405
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1cc(Cl)sc1Cl)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H21Cl2FN2OS/c1-23-11-13-12-27-28(16-7-5-15(26)6-8-16)19(13)9-14(23)3-2-4-18(23)21(29)17-10-20(24)30-22(17)25/h5-10,12,18,21,29H,2-4,11H2,1H3/t18-,21+,23+/m1/s1
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| InChIKey |
IVDZZFZQSNMSMN-JZWVFAODSA-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