General Information of the Compound
| Compound ID |
CP0852837
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| Compound Name |
(5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxo-6-[(2-phenylethyl)amino]hexan-1-aminium trifluoroacetate
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| Structure |
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| Formula |
C30H36F3N5O5
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| Molecular Weight |
603.642
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| Canonical SMILES |
CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C28H35N5O3.C2HF3O2/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20;3-2(4,5)1(6)7/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34);(H,6,7)/t24-,26+;/m1./s1
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| InChIKey |
UGHKKZYHWPSEOO-OTTABGKNSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5