General Information of the Compound
| Compound ID |
CP0506851
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| Compound Name |
BDBM444852
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| Structure |
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| Formula |
C20H21N5OS
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| Molecular Weight |
379.489
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| Canonical SMILES |
Cc1ncsc1C(=O)Nc1ccc(c(N)c1)-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C20H21N5OS/c1-11-19(27-10-22-11)20(26)23-14-6-7-17(15(21)8-14)25-18(13-4-5-13)9-16(24-25)12-2-3-12/h6-10,12-13H,2-5,21H2,1H3,(H,23,26)
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| InChIKey |
QYSGVHHIIBJAQX-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