General Information of the Compound
| Compound ID |
CP0535151
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| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-13-propyl-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene;hydrochloride
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| Formula |
C30H38ClN3O4S2
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| Molecular Weight |
604.238
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| Canonical SMILES |
Cl.CCCc1cc2CCN(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/C30H37N3O4S2.ClH/c1-5-6-26-19-27-15-17-32(38(34,35)29-11-7-23(2)8-12-29)21-25(4)22-33(18-16-28(20-26)31-27)39(36,37)30-13-9-24(3)10-14-30;/h7-14,19-20H,4-6,15-18,21-22H2,1-3H3;1H
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| InChIKey |
SVHQKFHNAGYFFO-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