General Information of the Compound
| Compound ID |
CP0377054
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| Compound Name |
4-tert-Butyl-N-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-benzamidine
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| Structure |
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| Formula |
C30H31N5
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| Molecular Weight |
461.613
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(N)=N[C@H](Cc1c[nH]c2ccccc12)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C30H31N5/c1-30(2,3)23-15-13-21(14-16-23)28(31)34-26(17-22-18-32-25-12-8-7-11-24(22)25)29-33-19-27(35-29)20-9-5-4-6-10-20/h4-16,18-19,26,32H,17H2,1-3H3,(H2,31,34)(H,33,35)/t26-/m1/s1
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| InChIKey |
BKTYEOBBEGICIU-AREMUKBSSA-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