General Information of the Compound
| Compound ID |
CP0140865
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| Compound Name |
2-[7-[(3R)-1-methylpyrrolidin-3-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C27H28N2O4S
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| Molecular Weight |
476.598
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| Canonical SMILES |
CN1CC[C@H](C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C27H28N2O4S/c1-28-8-7-22(17-28)32-21-5-6-25-19(14-21)13-18-3-2-4-23(27(18)34-25)24-15-20(30)16-26(33-24)29-9-11-31-12-10-29/h2-6,14-16,22H,7-13,17H2,1H3/t22-/m1/s1
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| InChIKey |
BLMRFUXYKIGLND-JOCHJYFZSA-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