General Information of the Compound
| Compound ID |
CP0077454
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| Compound Name |
6-N-(3-methylphenyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine
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| Structure |
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| Formula |
C17H14N4S
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| Molecular Weight |
306.394
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3c4cc(N)ccc4sc23)c1
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| InChI |
InChI=1S/C17H14N4S/c1-10-3-2-4-12(7-10)21-17-16-15(19-9-20-17)13-8-11(18)5-6-14(13)22-16/h2-9H,18H2,1H3,(H,19,20,21)
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| InChIKey |
OIFDROVQDZHYPF-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