General Information of the Compound
| Compound ID |
CP0875158
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| Compound Name |
(S)-7-methyl-5-propyl-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 |
C21H32N4O4
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| Molecular Weight |
404.511
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)CNC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C21H32N4O4/c1-3-7-17-21(28)25(2)15-20(27)24-14-19(26)23-11-6-9-16-8-4-5-10-18(16)29-13-12-22-17/h4-5,8,10,17,22H,3,6-7,9,11-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m0/s1
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| InChIKey |
DCPUVCXOARBFIZ-KRWDZBQOSA-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