General Information of the Compound
| Compound ID |
CP0848572
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-11-ethyl-7,8-dimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-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 |
CC[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NCCOc2ccccc2CCCNC1=O
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| InChI |
InChI=1S/C25H40N4O4/c1-6-17(3)22-25(32)29(5)18(4)23(30)28-20(7-2)24(31)27-14-10-12-19-11-8-9-13-21(19)33-16-15-26-22/h8-9,11,13,17-18,20,22,26H,6-7,10,12,14-16H2,1-5H3,(H,27,31)(H,28,30)/t17-,18+,20+,22-/m0/s1
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| InChIKey |
OOJVLNWNWSQORT-IKLNAOFOSA-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