General Information of the Compound
| Compound ID |
CP0120435
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| Compound Name |
(5R,7S)-1-(3-fluorophenyl)-8-(1H-indol-5-ylmethyl)-3,7-dimethyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C23H27FN4O2S
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| Molecular Weight |
442.56
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| Canonical SMILES |
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C23H27FN4O2S/c1-17-14-23(9-11-27(17)15-18-6-7-22-19(12-18)8-10-25-22)16-26(2)31(29,30)28(23)21-5-3-4-20(24)13-21/h3-8,10,12-13,17,25H,9,11,14-16H2,1-2H3/t17-,23+/m0/s1
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| InChIKey |
DIZVQZJZOKIMBX-GAJHUEQPSA-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