General Information of the Compound
| Compound ID |
CP0485420
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1-oxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
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| Structure |
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| Formula |
C29H36N4O5S2
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| Molecular Weight |
584.764
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCNCC2)C1=O
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| InChI |
InChI=1S/C29H36N4O5S2/c1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32/h4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3/t24-/m1/s1
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| InChIKey |
CMIWIFCLMXWFBM-XMMPIXPASA-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
Protein ID: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor