General Information of the Compound
| Compound ID |
CP0409998
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| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-(3-ethylpiperidin-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 |
C35H46N4O3
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| Molecular Weight |
570.778
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| Canonical SMILES |
CCC1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C35H46N4O3/c1-2-27-10-9-21-37(24-27)32(40)25-38-26-39(31-13-7-4-8-14-31)35(34(38)42)19-22-36(23-20-35)33(41)30-17-15-29(16-18-30)28-11-5-3-6-12-28/h4,7-8,13-18,27-28H,2-3,5-6,9-12,19-26H2,1H3
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| InChIKey |
YWPTXQVIYVNKRK-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