General Information of the Compound
| Compound ID |
CP0875145
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| Compound Name |
(4aS,7R,10R)-10-benzyl-6,7-dimethyl-2,3,4,4a,6,7,9,10,12,13,14,15,21,22-tetradecahydrobenzo[q]pyrido[1,2-d][1,4,7,10,13]oxatetraazacyclooctadecine-5,8,11(1H)-trione
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| Structure |
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| Formula |
C30H40N4O4
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| Molecular Weight |
520.674
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCCC[C@H]2C(=O)N1C
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| InChI |
InChI=1S/C30H40N4O4/c1-22-28(35)32-25(21-23-11-4-3-5-12-23)29(36)31-17-10-14-24-13-6-7-16-27(24)38-20-19-34-18-9-8-15-26(34)30(37)33(22)2/h3-7,11-13,16,22,25-26H,8-10,14-15,17-21H2,1-2H3,(H,31,36)(H,32,35)/t22-,25-,26+/m1/s1
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| InChIKey |
UUAYKJJJWSQNCV-RCXJIHSJSA-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