General Information of the Compound
| Compound ID |
CP0565206
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| Compound Name |
2-[7-[(2S)-1-(2,8-dioxa-5-azaspiro[3.5]nonan-5-yl)propan-2-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C31H34N2O6S
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| Molecular Weight |
562.688
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| Canonical SMILES |
C[C@@H](CN1CCOCC11COC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C31H34N2O6S/c1-21(17-33-9-12-36-18-31(33)19-37-20-31)38-25-5-6-28-23(14-25)13-22-3-2-4-26(30(22)40-28)27-15-24(34)16-29(39-27)32-7-10-35-11-8-32/h2-6,14-16,21H,7-13,17-20H2,1H3/t21-/m0/s1
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| InChIKey |
PVEVLOWROJAGCU-NRFANRHFSA-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