General Information of the Compound
| Compound ID |
CP0916038
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| Compound Name |
9'-(2-Hydroxy-4-oxospiro[5.5]undec-3-yl)-4',9'-dihydrospiro[cyclohexane-1,3'-xanthen]-1'(2'H)-one
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21
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| InChI |
InChI=1S/C29H34O4/c30-20-15-28(11-5-1-6-12-28)16-21(31)26(20)25-19-9-3-4-10-23(19)33-24-18-29(13-7-2-8-14-29)17-22(32)27(24)25/h3-4,9-10,25,30H,1-2,5-8,11-18H2
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| InChIKey |
UTDBQTUOBMQAHN-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