General Information of the Compound
| Compound ID |
CP0527670
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| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-(4-(hydroxymethyl)piperidin-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 |
C34H44N4O4
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| Molecular Weight |
572.75
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| Canonical SMILES |
OCC1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C34H44N4O4/c39-24-26-15-19-35(20-16-26)31(40)23-37-25-38(30-9-5-2-6-10-30)34(33(37)42)17-21-36(22-18-34)32(41)29-13-11-28(12-14-29)27-7-3-1-4-8-27/h2,5-6,9-14,26-27,39H,1,3-4,7-8,15-25H2
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| InChIKey |
KBFAQBCAYHIAKV-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