General Information of the Compound
| Compound ID |
CP0579598
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| Compound Name |
3-[[2-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-4-oxofuro[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C16H14ClN7O4S
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| Molecular Weight |
435.853
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| Canonical SMILES |
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C16H14ClN7O4S/c1-7-12-15(28-13(7)14(18)26)19-6-23(16(12)27)5-11-20-22-24(21-11)4-8(25)9-2-3-10(17)29-9/h2-3,6,8,25H,4-5H2,1H3,(H2,18,26)/t8-/m0/s1
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| InChIKey |
JTULPMHYGMMBHH-QMMMGPOBSA-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