General Information of the Compound
| Compound ID |
CP0533091
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| Compound Name |
4-butyl-3-(cyclohexylmethyl)-8-(1-(2-methylbenzoyl)piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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| Structure |
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| Formula |
C31H47N3O3
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| Molecular Weight |
509.735
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| Canonical SMILES |
CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
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| InChI |
InChI=1S/C31H47N3O3/c1-3-4-14-28-31(37-30(36)34(28)23-25-11-6-5-7-12-25)17-21-32(22-18-31)26-15-19-33(20-16-26)29(35)27-13-9-8-10-24(27)2/h8-10,13,25-26,28H,3-7,11-12,14-23H2,1-2H3
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| InChIKey |
CPRSUYJBVWDQCV-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