General Information of the Compound
| Compound ID |
CP0397180
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C32H42N6O4
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| Molecular Weight |
574.726
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNC(=O)c1c(C)n[nH]c1C)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C32H42N6O4/c1-6-36-15-17-37(18-16-36)27-10-7-9-24-25(27)20-38(32(24)40)26(23-12-13-28(41-4)29(19-23)42-5)11-8-14-33-31(39)30-21(2)34-35-22(30)3/h7,9-10,12-13,19,26H,6,8,11,14-18,20H2,1-5H3,(H,33,39)(H,34,35)/t26-/m1/s1
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| InChIKey |
MCLMTVYPCCWVBH-AREMUKBSSA-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