General Information of the Compound
Compound ID |
CP0530025
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Compound Name |
3-(9-(dimethylamino)nonyl)-8-(4-isopropylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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Formula |
C33H56N4O
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Molecular Weight |
524.838
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Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1
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InChI |
InChI=1S/C33H56N4O/c1-28(2)29-17-19-30(20-18-29)35-25-21-33(22-26-35)32(38)36(27-37(33)31-15-11-10-12-16-31)24-14-9-7-5-6-8-13-23-34(3)4/h10-12,15-16,28-30H,5-9,13-14,17-27H2,1-4H3/t29-,30+
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InChIKey |
KQUYXDKOXBGYGV-RNPORBBMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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