General Information of the Compound
| Compound ID |
CP0857933
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| Compound Name |
peptidomimetic
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
O=C(N/N=C/c1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H27N5O2/c33-26(28-16-15-20-9-3-1-4-10-20)25(17-22-19-29-24-14-8-7-13-23(22)24)31-27(34)32-30-18-21-11-5-2-6-12-21/h1-14,18-19,25,29H,15-17H2,(H,28,33)(H2,31,32,34)/b30-18+
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| InChIKey |
UGLFLMFREBHQGD-UXHLAJHPSA-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