General Information of the Compound
| Compound ID |
CP0873135
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| Compound Name |
5-sec-butyl-11-(hydroxymethyl)-7-methyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C27H40N4O5
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| Molecular Weight |
500.64
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| Canonical SMILES |
CCC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)C(CO)NC(=O)C2(CCCC2)N(C)C1=O
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| InChI |
InChI=1S/C27H40N4O5/c1-4-19(2)23-25(34)31(3)27(13-7-8-14-27)26(35)30-21(18-32)24(33)29-15-9-11-20-10-5-6-12-22(20)36-17-16-28-23/h5-6,9-12,19,21,23,28,32H,4,7-8,13-18H2,1-3H3,(H,29,33)(H,30,35)/b11-9-/t19?,21?,23-/m0/s1
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| InChIKey |
SBBUIYJZRVFGCU-BNXTWNJFSA-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