General Information of the Compound
| Compound ID |
CP0241189
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| Compound Name |
2-amino-N-((S)-2-(benzyloxy)-1-(2-((1-(methylsulfonyl)indolin-2-yl)methyl)-2H-tetrazol-5-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C24H31N7O4S
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| Molecular Weight |
513.624
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC2Cc3ccccc3N2S(C)(=O)=O)n1
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| InChI |
InChI=1S/C24H31N7O4S/c1-24(2,25)23(32)26-20(16-35-15-17-9-5-4-6-10-17)22-27-29-30(28-22)14-19-13-18-11-7-8-12-21(18)31(19)36(3,33)34/h4-12,19-20H,13-16,25H2,1-3H3,(H,26,32)/t19?,20-/m1/s1
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| InChIKey |
NRGTWQWBODIBNO-GFOWMXPYSA-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