General Information of the Compound
| Compound ID |
CP0447574
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| Compound Name |
(R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)-4-(3,4-dimethoxyphenyl)butyl)-N-methylthiophene-2-sulfonamide
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| Structure |
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| Formula |
C32H40N4O5S2
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| Molecular Weight |
624.829
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O
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| InChI |
InChI=1S/C32H40N4O5S2/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3/t27-/m1/s1
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| InChIKey |
WKSXYCNWZUFKAC-HHHXNRCGSA-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