General Information of the Compound
| Compound ID |
CP0388313
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| Compound Name |
(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
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| Structure |
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| Formula |
C28H30ClN5O
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| Molecular Weight |
488.035
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| Canonical SMILES |
Cl.COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](N)Cc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C28H29N5O.ClH/c1-34-23-14-11-21(12-15-23)19-33-27(16-13-20-7-3-2-4-8-20)31-32-28(33)25(29)17-22-18-30-26-10-6-5-9-24(22)26;/h2-12,14-15,18,25,30H,13,16-17,19,29H2,1H3;1H/t25-;/m1./s1
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| InChIKey |
NLSAZEXQULHWNP-VQIWEWKSSA-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