General Information of the Compound
| Compound ID |
CP0521379
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| Compound Name |
5-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7,11-dimethyl-3-thia-1,10,12-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 |
C20H19N5OS
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| Molecular Weight |
377.473
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| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)N[C@H]1CCc2ccccc12
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| InChI |
InChI=1S/C20H19N5OS/c1-10-9-15-22-11(2)24-25(15)20-16(10)17(21)18(27-20)19(26)23-14-8-7-12-5-3-4-6-13(12)14/h3-6,9,14H,7-8,21H2,1-2H3,(H,23,26)/t14-/m0/s1
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| InChIKey |
OPFRWAYTYJICGP-AWEZNQCLSA-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