General Information of the Compound
| Compound ID |
CP0883373
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| Compound Name |
(5S,8R,11R)-11-benzyl-4,7,8-trimethyl-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 |
C30H42N4O4
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| Molecular Weight |
522.69
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| Canonical SMILES |
CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN1C
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| InChI |
InChI=1S/C30H42N4O4/c1-5-12-26-30(37)34(4)22(2)28(35)32-25(21-23-13-7-6-8-14-23)29(36)31-18-11-16-24-15-9-10-17-27(24)38-20-19-33(26)3/h6-10,13-15,17,22,25-26H,5,11-12,16,18-21H2,1-4H3,(H,31,36)(H,32,35)/t22-,25-,26+/m1/s1
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| InChIKey |
SXWSGKOOYIPHDS-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