General Information of the Compound
| Compound ID |
CP0927958
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| Compound Name |
(2S,5S,7R)-N8-{[3,5-bis(trifluoromethyl)phenyl]methyl}-7-(4-fluoro-2-methylphenyl)-N8-methyl-1,8-diazaspiro[4.5]decane-2,8-dicarboxamide
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| Structure |
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| Formula |
C27H29F7N4O2
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| Molecular Weight |
574.541
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| Canonical SMILES |
Cc1cc(F)ccc1[C@H]1C[C@]2(CC[C@@H](C(N)=O)N2)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C27H29F7N4O2/c1-15-9-19(28)3-4-20(15)22-13-25(6-5-21(36-25)23(35)39)7-8-38(22)24(40)37(2)14-16-10-17(26(29,30)31)12-18(11-16)27(32,33)34/h3-4,9-12,21-22,36H,5-8,13-14H2,1-2H3,(H2,35,39)/t21-,22+,25-/m0/s1
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| InChIKey |
WHWVTYYKIBPKMU-FBLLAGFSSA-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