General Information of the Compound
| Compound ID |
CP0870340
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| Compound Name |
5-(5H-Dibenzo[a,d]cyclohepten-5-yl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one
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| Structure |
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| Formula |
C24H22N2O5S
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| Molecular Weight |
450.516
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| Canonical SMILES |
O=c1[nH]c(=S)c(C2c3ccccc3C=Cc3ccccc32)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H22N2O5S/c27-12-18-20(28)21(29)23(31-18)26-11-17(22(32)25-24(26)30)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-11,18-21,23,27-29H,12H2,(H,25,30,32)/t18-,20-,21-,23-/m1/s1
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| InChIKey |
FXCUYHQWYSLSAA-KTDPBYDISA-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