General Information of the Compound
| Compound ID |
CP0405445
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| Compound Name |
(R)-2-(4-(6-chloropyrazin-2-ylamino)-1-(3,4-dimethoxyphenyl)butyl)-4-(4-ethylpiperazin-1-yl)isoindolin-1-one
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| Structure |
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| Formula |
C30H37ClN6O3
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| Molecular Weight |
565.118
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNc1cncc(Cl)n1)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C30H37ClN6O3/c1-4-35-13-15-36(16-14-35)25-8-5-7-22-23(25)20-37(30(22)38)24(21-10-11-26(39-2)27(17-21)40-3)9-6-12-33-29-19-32-18-28(31)34-29/h5,7-8,10-11,17-19,24H,4,6,9,12-16,20H2,1-3H3,(H,33,34)/t24-/m1/s1
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| InChIKey |
PUAHOGRCDQZHHA-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