General Information of the Compound
| Compound ID |
CP0532959
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| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-13-(2-methylpropyl)-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene;hydrochloride
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| Formula |
C31H40ClN3O4S2
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| Molecular Weight |
618.265
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| Canonical SMILES |
Cl.CC(C)Cc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C31H39N3O4S2.ClH/c1-23(2)18-27-19-28-14-16-33(39(35,36)30-10-6-24(3)7-11-30)21-26(5)22-34(17-15-29(20-27)32-28)40(37,38)31-12-8-25(4)9-13-31;/h6-13,19-20,23H,5,14-18,21-22H2,1-4H3;1H
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| InChIKey |
SCKDBSXTPZTCAL-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