General Information of the Compound
| Compound ID |
CP0537785
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| Compound Name |
4-butyl-8-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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| Structure |
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| Formula |
C30H47N5O4
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| Molecular Weight |
541.737
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| Canonical SMILES |
CCCCC1N(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C30H47N5O4/c1-5-6-7-25-30(39-28(37)35(25)20-24-8-18-38-19-9-24)12-16-34(17-13-30)29(4)10-14-33(15-11-29)27(36)26-22(2)31-21-32-23(26)3/h21,24-25H,5-20H2,1-4H3
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| InChIKey |
KQLSXCNTMVFPSL-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