General Information of the Compound
| Compound ID |
CP0443207
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| Compound Name |
(4aS,10R,10aS)-2'-amino-8-[3-(difluoromethoxy)phenyl]-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 |
C22H21F2N3O4
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| Molecular Weight |
429.423
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccc(OC(F)F)c2)C1=O
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| InChI |
InChI=1S/C22H21F2N3O4/c1-27-19(28)22(26-21(27)25)15-10-13(12-3-2-4-14(9-12)30-20(23)24)5-6-17(15)31-18-7-8-29-11-16(18)22/h2-6,9-10,16,18,20H,7-8,11H2,1H3,(H2,25,26)/t16-,18-,22-/m0/s1
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| InChIKey |
QERRFQSEWKUWKZ-ZJBJCVSYSA-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