General Information of the Compound
| Compound ID |
CP0379955
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| Compound Name |
2-(8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-(methylsulfonamido)propyl)acetamide
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| Structure |
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| Formula |
C32H43N5O5S
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| Molecular Weight |
609.793
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| Canonical SMILES |
CS(=O)(=O)NCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C32H43N5O5S/c1-43(41,42)34-20-8-19-33-29(38)23-36-24-37(28-11-6-3-7-12-28)32(31(36)40)17-21-35(22-18-32)30(39)27-15-13-26(14-16-27)25-9-4-2-5-10-25/h3,6-7,11-16,25,34H,2,4-5,8-10,17-24H2,1H3,(H,33,38)
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| InChIKey |
COVSRTWQQDBGMQ-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