General Information of the Compound
| Compound ID |
CP0889393
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| Compound Name |
peptidomimetic
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| Structure |
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| Formula |
C27H26ClN5O2
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| Molecular Weight |
487.991
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| Canonical SMILES |
O=C(N/N=C/c1ccc(Cl)cc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H26ClN5O2/c28-22-12-10-20(11-13-22)17-31-33-27(35)32-25(16-21-18-30-24-9-5-4-8-23(21)24)26(34)29-15-14-19-6-2-1-3-7-19/h1-13,17-18,25,30H,14-16H2,(H,29,34)(H2,32,33,35)/b31-17+
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| InChIKey |
KVYJMEJYRBQWIN-KBVAKVRCSA-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