General Information of the Compound
| Compound ID |
CP0407985
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| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-(3-methylpiperidin-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 |
C34H44N4O3
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| Molecular Weight |
556.751
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| Canonical SMILES |
CC1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C34H44N4O3/c1-26-9-8-20-36(23-26)31(39)24-37-25-38(30-12-6-3-7-13-30)34(33(37)41)18-21-35(22-19-34)32(40)29-16-14-28(15-17-29)27-10-4-2-5-11-27/h3,6-7,12-17,26-27H,2,4-5,8-11,18-25H2,1H3
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| InChIKey |
VONOIIGXABMUNL-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