General Information of the Compound
| Compound ID |
CP0105495
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| Compound Name |
(4R,10bR)-4-(3,4-dimethoxyphenyl)-10-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6(10bH)-one
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| Structure |
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCC[C@@H]3c3ccc(OC)c(OC)c3)c12
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| InChI |
InChI=1S/C26H33N3O3/c1-4-27-13-15-28(16-14-27)21-9-5-7-19-25(21)22-10-6-8-20(29(22)26(19)30)18-11-12-23(31-2)24(17-18)32-3/h5,7,9,11-12,17,20,22H,4,6,8,10,13-16H2,1-3H3/t20-,22-/m1/s1
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| InChIKey |
XXLZOSHJTIIOHX-IFMALSPDSA-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