General Information of the Compound
| Compound ID |
CP0875147
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| Compound Name |
(5S,8R,11R)-11-((1H-indol-3-yl)methyl)-5-cyclopropyl-7,8-dimethyl-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 |
C31H39N5O4
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| Molecular Weight |
545.684
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C31H39N5O4/c1-20-29(37)35-26(18-23-19-34-25-11-5-4-10-24(23)25)30(38)33-15-7-9-21-8-3-6-12-27(21)40-17-16-32-28(22-13-14-22)31(39)36(20)2/h3-6,8,10-12,19-20,22,26,28,32,34H,7,9,13-18H2,1-2H3,(H,33,38)(H,35,37)/t20-,26-,28+/m1/s1
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| InChIKey |
HYQSNPWDKVSAMC-LVPRMVSMSA-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