General Information of the Compound
| Compound ID |
CP0379954
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| Compound Name |
2-(8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(hydroxymethyl)acetamide
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| Structure |
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
OCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C29H36N4O4/c34-20-30-26(35)19-32-21-33(25-9-5-2-6-10-25)29(28(32)37)15-17-31(18-16-29)27(36)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h2,5-6,9-14,22,34H,1,3-4,7-8,15-21H2,(H,30,35)
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| InChIKey |
KXLGCEYBRHEBFY-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