General Information of the Compound
| Compound ID |
CP0449740
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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]piperidine-1-carboxylate
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| Structure |
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| Formula |
C34H45ClN4O5
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| Molecular Weight |
625.21
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
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| InChI |
InChI=1S/C34H45ClN4O5/c1-34(2,3)44-33(42)38-18-11-24(12-19-38)10-15-36-32(41)28-22-26(35)8-9-27(28)25-13-16-37(17-14-25)20-21-39-29-6-4-5-7-30(29)43-23-31(39)40/h4-9,22,24-25H,10-21,23H2,1-3H3,(H,36,41)
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| InChIKey |
YRGWVXKOYLUADE-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