General Information of the Compound
| Compound ID |
CP0395247
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| Compound Name |
8-[2-(4-benzylpiperidin-1-yl)acetyl]-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C31H34F6N4O3
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| Molecular Weight |
624.626
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| Canonical SMILES |
CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)CN2CCC(Cc3ccccc3)CC2)C1=O
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| InChI |
InChI=1S/C31H34F6N4O3/c1-38-27(43)29(41(28(38)44)19-23-16-24(30(32,33)34)18-25(17-23)31(35,36)37)9-13-40(14-10-29)26(42)20-39-11-7-22(8-12-39)15-21-5-3-2-4-6-21/h2-6,16-18,22H,7-15,19-20H2,1H3
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| InChIKey |
BXGTWCLBVXIHEG-UHFFFAOYSA-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