General Information of the Compound
| Compound ID |
CP0532960
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| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-13-phenyl-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene;hydrochloride
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| Formula |
C33H36ClN3O4S2
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| Molecular Weight |
638.255
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| Canonical SMILES |
Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2)-c1ccccc1
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| InChI |
InChI=1S/C33H35N3O4S2.ClH/c1-25-9-13-32(14-10-25)41(37,38)35-19-17-30-21-29(28-7-5-4-6-8-28)22-31(34-30)18-20-36(24-27(3)23-35)42(39,40)33-15-11-26(2)12-16-33;/h4-16,21-22H,3,17-20,23-24H2,1-2H3;1H
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| InChIKey |
JDQVGEOUKHGYPV-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