General Information of the Compound
| Compound ID |
CP0955803
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| Compound Name |
3-(2-(4-(3,4-Dichlorobenzyl)-5-(piperidin-4-yl)-4H-1,2,4-triazol-3-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C24H25Cl2N5
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| Molecular Weight |
454.405
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| Canonical SMILES |
Clc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2C2CCNCC2)cc1Cl
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| InChI |
InChI=1S/C24H25Cl2N5/c25-20-7-5-16(13-21(20)26)15-31-23(29-30-24(31)17-9-11-27-12-10-17)8-6-18-14-28-22-4-2-1-3-19(18)22/h1-5,7,13-14,17,27-28H,6,8-12,15H2
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| InChIKey |
XMKNKILGZIDIQP-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: PT01505, Somatostatin receptor type 2
Protein ID: PT01398, Somatostatin receptor type 4