General Information of the Compound
| Compound ID |
CP0284751
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| Compound Name |
(6S,12R)-12-butyl-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 |
C25H40N4O4
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| Molecular Weight |
460.619
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| Canonical SMILES |
CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O
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| InChI |
InChI=1S/C25H40N4O4/c1-4-6-13-20-24(31)27-15-9-12-19-11-7-8-14-22(19)33-17-16-26-21(10-5-2)25(32)29(3)18-23(30)28-20/h7-8,11,14,20-21,26H,4-6,9-10,12-13,15-18H2,1-3H3,(H,27,31)(H,28,30)/t20-,21+/m1/s1
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| InChIKey |
MNXXIGLXENLOEX-RTWAWAEBSA-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