General Information of the Compound
| Compound ID |
CP0864964
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| Compound Name |
(5S,11R)-4-acetyl-11-benzyl-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 |
C30H40N4O5
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| Molecular Weight |
536.673
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| Canonical SMILES |
CCC[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN1C(C)=O
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| InChI |
InChI=1S/C30H40N4O5/c1-4-11-26-30(38)33(3)21-28(36)32-25(20-23-12-6-5-7-13-23)29(37)31-17-10-15-24-14-8-9-16-27(24)39-19-18-34(26)22(2)35/h5-9,12-14,16,25-26H,4,10-11,15,17-21H2,1-3H3,(H,31,37)(H,32,36)/t25-,26+/m1/s1
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| InChIKey |
SNRPZNPNBKGQFG-FTJBHMTQSA-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