General Information of the Compound
| Compound ID |
CP0461210
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-(5-hydroxypentylamino)-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C23H37N7O4
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| Molecular Weight |
475.594
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCO
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| InChI |
InChI=1S/C23H37N7O4/c1-23(2,24)22(33)26-19(17-34-16-18-10-5-3-6-11-18)21-27-28-29-30(21)14-9-12-20(32)25-13-7-4-8-15-31/h3,5-6,10-11,19,31H,4,7-9,12-17,24H2,1-2H3,(H,25,32)(H,26,33)/t19-/m1/s1
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| InChIKey |
CAZKJJJUDWJLBS-LJQANCHMSA-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