General Information of the Compound
| Compound ID |
CP0927957
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| Compound Name |
(2R,5S,7R)-N8-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-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 |
C28H31F7N4O2
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| Molecular Weight |
588.568
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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)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C28H31F7N4O2/c1-15-10-20(29)4-5-21(15)23-14-26(7-6-22(37-26)24(36)40)8-9-39(23)25(41)38(3)16(2)17-11-18(27(30,31)32)13-19(12-17)28(33,34)35/h4-5,10-13,16,22-23,37H,6-9,14H2,1-3H3,(H2,36,40)/t16-,22+,23+,26-/m0/s1
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| InChIKey |
VCBSUJRRMDZCKA-GHCNFNEDSA-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