General Information of the Compound
| Compound ID |
CP0847441
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| Compound Name |
peptidomimetic
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| Structure |
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| Formula |
C31H29N5O2S
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| Molecular Weight |
535.673
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| Canonical SMILES |
O=C(N/N=C/c1ccc(-c2cccs2)cc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C31H29N5O2S/c37-30(32-17-16-22-7-2-1-3-8-22)28(19-25-21-33-27-10-5-4-9-26(25)27)35-31(38)36-34-20-23-12-14-24(15-13-23)29-11-6-18-39-29/h1-15,18,20-21,28,33H,16-17,19H2,(H,32,37)(H2,35,36,38)/b34-20+
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| InChIKey |
YUZNBYZTUSBUSR-QXUDOOCXSA-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