General Information of the Compound
| Compound ID |
CP0370662
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| Compound Name |
(S)-4-(5-(1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl)-1H-tetrazol-1-yl)-N-butylbutanamide
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| Structure |
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| Formula |
C22H35N7O3
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| Molecular Weight |
445.568
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| Canonical SMILES |
CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C22H35N7O3/c1-4-5-13-24-19(30)12-9-14-29-20(26-27-28-29)18(25-21(31)22(2,3)23)16-32-15-17-10-7-6-8-11-17/h6-8,10-11,18H,4-5,9,12-16,23H2,1-3H3,(H,24,30)(H,25,31)/t18-/m1/s1
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| InChIKey |
RDULDLLMMGAAME-GOSISDBHSA-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