General Information of the Compound
| Compound ID |
CP0848227
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| Compound Name |
(4S,10R)-10-Benzyl-6-methyl-4-propyl-3,6,9,12-tetraaza-bicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,8,11-trione
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
CCC[C@@H]1NCc2cccc(c2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C26H34N4O3/c1-3-8-22-26(33)30(2)18-24(31)29-23(16-19-9-5-4-6-10-19)25(32)27-14-13-20-11-7-12-21(15-20)17-28-22/h4-7,9-12,15,22-23,28H,3,8,13-14,16-18H2,1-2H3,(H,27,32)(H,29,31)/t22-,23+/m0/s1
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| InChIKey |
UPYUBGZWCRLCPJ-XZOQPEGZSA-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