General Information of the Compound
| Compound ID |
CP0174453
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| Compound Name |
(4aR,10R,10aR)-8-pyrimidin-5-ylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
NC1=N[C@]2(CO1)[C@@H]1COCC[C@H]1Oc1ccc(cc21)-c1cncnc1
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| InChI |
InChI=1S/C18H18N4O3/c19-17-22-18(9-24-17)13-5-11(12-6-20-10-21-7-12)1-2-15(13)25-16-3-4-23-8-14(16)18/h1-2,5-7,10,14,16H,3-4,8-9H2,(H2,19,22)/t14-,16-,18+/m1/s1
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| InChIKey |
ILEVRVSXJKOWJQ-KYJSFNMBSA-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