General Information of the Compound
| Compound ID |
CP0500552
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| Compound Name |
2-amino-N-((S)-2-(benzyloxy)-1-(1-((1-(methylsulfonyl)indolin-3-yl)methyl)-1H-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)c1nnnn1CC1CN(c2ccccc12)S(C)(=O)=O
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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)22-27-28-29-30(22)13-18-14-31(36(3,33)34)21-12-8-7-11-19(18)21/h4-12,18,20H,13-16,25H2,1-3H3,(H,26,32)/t18?,20-/m1/s1
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| InChIKey |
SHDOOHPQFJTOHQ-ROPPNANJSA-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