General Information of the Compound
| Compound ID |
CP0384240
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| Compound Name |
5-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-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 |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12
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| InChI |
InChI=1S/C19H17N5OS/c1-10-8-14-23-21-9-24(14)19-15(10)16(20)17(26-19)18(25)22-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7,20H2,1H3,(H,22,25)/t13-/m0/s1
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| InChIKey |
MSLABHAXZFFQGF-ZDUSSCGKSA-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