General Information of the Compound
| Compound ID |
CP0473436
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| Compound Name |
(4aS,10R,10aS)-2'-amino-8-(5-methoxypyridin-3-yl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C21H22N4O4
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| Molecular Weight |
394.431
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| Canonical SMILES |
COc1cncc(c1)-c1ccc2O[C@H]3CCOC[C@@H]3[C@@]3(N=C(N)N(C)C3=O)c2c1
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| InChI |
InChI=1S/C21H22N4O4/c1-25-19(26)21(24-20(25)22)15-8-12(13-7-14(27-2)10-23-9-13)3-4-17(15)29-18-5-6-28-11-16(18)21/h3-4,7-10,16,18H,5-6,11H2,1-2H3,(H2,22,24)/t16-,18-,21-/m0/s1
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| InChIKey |
OSLZQIQVWIVBTD-MDKPJZGXSA-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