General Information of the Compound
| Compound ID |
CP0409996
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| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-oxo-2-(4-(phenylsulfonyl)piperazin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C38H45N5O5S
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| Molecular Weight |
683.875
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| Canonical SMILES |
O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C38H45N5O5S/c44-35(39-24-26-42(27-25-39)49(47,48)34-14-8-3-9-15-34)28-41-29-43(33-12-6-2-7-13-33)38(37(41)46)20-22-40(23-21-38)36(45)32-18-16-31(17-19-32)30-10-4-1-5-11-30/h2-3,6-9,12-19,30H,1,4-5,10-11,20-29H2
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| InChIKey |
DSSUSUBIJQZBGY-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