General Information of the Compound
| Compound ID |
CP0867095
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| Compound Name |
(4S,21S)-2-Benzyl-18-sec-butyl-14-oxa-1,4,17,20-tetraaza-tricyclo[19.2.1.0(8,13)]tetracosa-8,10,12-triene-3,19,24-trione
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| Structure |
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| Formula |
C30H40N4O4
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| Molecular Weight |
520.674
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@H](NC1=O)C2=O
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| InChI |
InChI=1S/C30H40N4O4/c1-3-21(2)27-29(36)33-24-15-18-34(30(24)37)25(20-22-10-5-4-6-11-22)28(35)32-16-9-13-23-12-7-8-14-26(23)38-19-17-31-27/h4-8,10-12,14,21,24-25,27,31H,3,9,13,15-20H2,1-2H3,(H,32,35)(H,33,36)/t21-,24-,25+,27-/m0/s1
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| InChIKey |
RPBHCABSVRDZRE-CIMCOABOSA-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