General Information of the Compound
| Compound ID |
CP0488018
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| Compound Name |
5-amino-8-chloro-N-cyclopropyl-7,12-dimethyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C14H14ClN5OS
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| Molecular Weight |
335.82
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| Canonical SMILES |
Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1CC1
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| InChI |
InChI=1S/C14H14ClN5OS/c1-5-8-10(16)11(13(21)17-7-3-4-7)22-14(8)20-6(2)18-19-12(20)9(5)15/h7H,3-4,16H2,1-2H3,(H,17,21)
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| InChIKey |
RIYSHRNMJHUUHS-UHFFFAOYSA-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