General Information of the Compound
| Compound ID |
CP0537030
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| Compound Name |
5-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7,11-dimethyl-3-thia-1,10-diazatricyclo[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 |
C21H20N4OS
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| Molecular Weight |
376.485
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| Canonical SMILES |
Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)N[C@H]2CCc3ccccc23)n1
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| InChI |
InChI=1S/C21H20N4OS/c1-11-9-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-7-13-5-3-4-6-14(13)15/h3-6,9-10,15H,7-8,22H2,1-2H3,(H,24,26)/t15-/m0/s1
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| InChIKey |
DWCBPLUJEUVMFM-HNNXBMFYSA-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