General Information of the Compound
| Compound ID |
CP0205854
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| Compound Name |
(6S,12R)-12-(hydroxymethyl)-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C22H34N4O5
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| Molecular Weight |
434.537
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CO)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C22H34N4O5/c1-3-7-17-22(30)26(2)14-20(28)25-18(15-27)21(29)24-11-6-9-16-8-4-5-10-19(16)31-13-12-23-17/h4-5,8,10,17-18,23,27H,3,6-7,9,11-15H2,1-2H3,(H,24,29)(H,25,28)/t17-,18+/m0/s1
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| InChIKey |
XBVQWMCFDLASOQ-ZWKOTPCHSA-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