General Information of the Compound
| Compound ID |
CP0515988
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| Compound Name |
Biphenyl-2-carboxylic acid {4-[8-(2-dimethylamino-ethyl)-5,6,7,8-tetrahydro-1-thia-4,8-diaza-azulene-4-carbonyl]-phenyl}-amide
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| Structure |
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| Formula |
C31H32N4O2S
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| Molecular Weight |
524.69
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| Canonical SMILES |
CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
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| InChI |
InChI=1S/C31H32N4O2S/c1-33(2)20-21-34-18-8-19-35(28-17-22-38-31(28)34)30(37)24-13-15-25(16-14-24)32-29(36)27-12-7-6-11-26(27)23-9-4-3-5-10-23/h3-7,9-17,22H,8,18-21H2,1-2H3,(H,32,36)
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| InChIKey |
YUZYROBUIAUGNA-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