General Information of the Compound
| Compound ID |
CP0477895
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| Compound Name |
tert-butyl 4-[2-[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]ethyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H44ClN5O5
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| Molecular Weight |
626.198
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
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| InChI |
InChI=1S/C33H44ClN5O5/c1-33(2,3)44-32(42)38-19-16-37(17-20-38)15-12-35-31(41)27-22-25(34)8-9-26(27)24-10-13-36(14-11-24)18-21-39-28-6-4-5-7-29(28)43-23-30(39)40/h4-9,22,24H,10-21,23H2,1-3H3,(H,35,41)
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| InChIKey |
XRDCOVSGDBZMPB-UHFFFAOYSA-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