General Information of the Compound
| Compound ID |
CP0384239
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| Compound Name |
5-amino-8-chloro-N-(2,3-dihydro-1H-inden-2-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 |
C19H16ClN5OS
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| Molecular Weight |
397.891
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| Canonical SMILES |
Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
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| InChI |
InChI=1S/C19H16ClN5OS/c1-9-13-15(21)16(27-19(13)25-8-22-24-17(25)14(9)20)18(26)23-12-6-10-4-2-3-5-11(10)7-12/h2-5,8,12H,6-7,21H2,1H3,(H,23,26)
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| InChIKey |
DHGPUZFWACZSFU-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