General Information of the Compound
| Compound ID |
CP0840276
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| Compound Name |
2'-cyano-N-(3,4-dimethylisoxazol-5-yl)-4'-((8-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-1(4H)-yl)methyl)biphenyl-2-sulfonamide
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| Structure |
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| Formula |
C30H31N5O4S
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| Molecular Weight |
557.676
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| Canonical SMILES |
CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(C#N)c1)C(=O)CCCC2
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| InChI |
InChI=1S/C30H31N5O4S/c1-4-9-28-32-25-11-6-7-12-26(36)29(25)35(28)18-21-14-15-23(22(16-21)17-31)24-10-5-8-13-27(24)40(37,38)34-30-19(2)20(3)33-39-30/h5,8,10,13-16,34H,4,6-7,9,11-12,18H2,1-3H3
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| InChIKey |
VGWWIMUJYACUED-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