General Information of the Compound
| Compound ID |
CP0388198
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| Compound Name |
(4aS,10R,10aS)-2'-amino-8-(3-methoxyphenyl)-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 |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
COc1cccc(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/C22H23N3O4/c1-25-20(26)22(24-21(25)23)16-11-14(13-4-3-5-15(10-13)27-2)6-7-18(16)29-19-8-9-28-12-17(19)22/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H2,23,24)/t17-,19-,22-/m0/s1
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| InChIKey |
BWRXNKMJTLMWHA-JLMWRMLUSA-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