General Information of the Compound
| Compound ID |
CP0471563
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| Compound Name |
4-[[8-[4-(dimethylamino)phenyl]sulfonyl-13-ethyl-6-methylidene-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-4-yl]sulfonyl]-N,N-dimethylaniline;hydrochloride
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| Formula |
C31H42ClN5O4S2
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| Molecular Weight |
648.295
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| Canonical SMILES |
Cl.CCc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(cc1)N(C)C)S(=O)(=O)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C31H41N5O4S2.ClH/c1-7-25-20-26-16-18-35(41(37,38)30-12-8-28(9-13-30)33(3)4)22-24(2)23-36(19-17-27(21-25)32-26)42(39,40)31-14-10-29(11-15-31)34(5)6;/h8-15,20-21H,2,7,16-19,22-23H2,1,3-6H3;1H
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| InChIKey |
YUPQXQUHXHJLMZ-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