General Information of the Compound
| Compound ID |
CP0545555
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| Compound Name |
3-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethylamino]benzoic acid
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| Structure |
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| Formula |
C31H30N4O5
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| Molecular Weight |
538.604
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| Canonical SMILES |
OC(=O)c1cccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)c1
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| InChI |
InChI=1S/C31H30N4O5/c36-30(37)24-7-4-8-26(18-24)32-13-16-40-29-10-9-27-19-25(29)21-39-15-2-1-14-38-20-22-5-3-6-23(17-22)28-11-12-33-31(34-27)35-28/h1-12,17-19,32H,13-16,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
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| InChIKey |
RLNHDPUVCRDNQW-OWOJBTEDSA-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