General Information of the Compound
| Compound ID |
CP0388199
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| Compound Name |
5-[(4aS,10R,10aS)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H19N5O3
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| Molecular Weight |
389.415
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cncc(c2)C#N)C1=O
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| InChI |
InChI=1S/C21H19N5O3/c1-26-19(27)21(25-20(26)23)15-7-13(14-6-12(8-22)9-24-10-14)2-3-17(15)29-18-4-5-28-11-16(18)21/h2-3,6-7,9-10,16,18H,4-5,11H2,1H3,(H2,23,25)/t16-,18-,21-/m0/s1
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| InChIKey |
VYSWEVZQGBJWAK-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