General Information of the Compound
| Compound ID |
CP0384673
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| Compound Name |
1-[[6-[8-[(2S)-2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-4-yl]octoxy]naphthalen-2-yl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C38H44FN3O5S
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| Molecular Weight |
673.851
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| Canonical SMILES |
CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(O)=O)c(=O)c5cccc(F)c45)ccc3c2)C1=O
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| InChI |
InChI=1S/C38H44FN3O5S/c1-2-33-36(44)42(38(48-33)16-18-40-19-17-38)20-7-5-3-4-6-8-21-47-29-15-14-27-22-26(12-13-28(27)23-29)24-41-25-31(37(45)46)35(43)30-10-9-11-32(39)34(30)41/h9-15,22-23,25,33,40H,2-8,16-21,24H2,1H3,(H,45,46)/t33-/m0/s1
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| InChIKey |
WYMRBWZIWVHPHT-XIFFEERXSA-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