General Information of the Compound
| Compound ID |
CP0459914
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| Compound Name |
2-amino-2-methyl-N-[(1S)-1-[1-[4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butyl]tetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
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| Structure |
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| Formula |
C23H35N9O4
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| Molecular Weight |
501.592
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCN1CCNC1=O
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| InChI |
InChI=1S/C23H35N9O4/c1-23(2,24)21(34)27-18(16-36-15-17-7-4-3-5-8-17)20-28-29-30-32(20)12-6-9-19(33)25-10-13-31-14-11-26-22(31)35/h3-5,7-8,18H,6,9-16,24H2,1-2H3,(H,25,33)(H,26,35)(H,27,34)/t18-/m1/s1
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| InChIKey |
LXTUHRASHNCNAY-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