General Information of the Compound
| Compound ID |
CP0204358
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| Compound Name |
(5R,7S)-8-[(3-cyclopentyloxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C25H32FN3O3S
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| Molecular Weight |
473.614
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| Canonical SMILES |
C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1
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| InChI |
InChI=1S/C25H32FN3O3S/c1-19-16-25(18-27-33(30,31)29(25)22-8-5-7-21(26)15-22)12-13-28(19)17-20-6-4-11-24(14-20)32-23-9-2-3-10-23/h4-8,11,14-15,19,23,27H,2-3,9-10,12-13,16-18H2,1H3/t19-,25+/m0/s1
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| InChIKey |
FHKOQJIBPGTNPG-UQBPGWFLSA-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