General Information of the Compound
| Compound ID |
CP0498248
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| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C33H43N5O5S
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| Molecular Weight |
621.804
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C33H43N5O5S/c1-44(42,43)37-22-20-34(21-23-37)30(39)24-36-25-38(29-10-6-3-7-11-29)33(32(36)41)16-18-35(19-17-33)31(40)28-14-12-27(13-15-28)26-8-4-2-5-9-26/h3,6-7,10-15,26H,2,4-5,8-9,16-25H2,1H3
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| InChIKey |
PVVREIFMOYTBEF-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