General Information of the Compound
| Compound ID |
CP0388197
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| Compound Name |
(4aS,10R,10aS)-2'-amino-3'-methyl-8-pyrimidin-5-ylspiro[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 |
C19H19N5O3
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| Molecular Weight |
365.393
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cncnc2)C1=O
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| InChI |
InChI=1S/C19H19N5O3/c1-24-17(25)19(23-18(24)20)13-6-11(12-7-21-10-22-8-12)2-3-15(13)27-16-4-5-26-9-14(16)19/h2-3,6-8,10,14,16H,4-5,9H2,1H3,(H2,20,23)/t14-,16-,19-/m0/s1
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| InChIKey |
RJSNCSMBORZTJH-QOKNQOGYSA-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