General Information of the Compound
| Compound ID |
CP0899614
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| Compound Name |
(5S,8S,11R)-11-benzyl-5-sec-butyl-7-methyl-8-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 |
C32H46N4O4
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| Molecular Weight |
550.744
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| Canonical SMILES |
CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H]([C@@H](C)CC)C(=O)N1C
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| InChI |
InChI=1S/C32H46N4O4/c1-5-13-27-31(38)35-26(22-24-14-8-7-9-15-24)30(37)34-19-12-17-25-16-10-11-18-28(25)40-21-20-33-29(23(3)6-2)32(39)36(27)4/h7-11,14-16,18,23,26-27,29,33H,5-6,12-13,17,19-22H2,1-4H3,(H,34,37)(H,35,38)/t23-,26+,27-,29-/m0/s1
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| InChIKey |
RUNHUQPXJOCWIE-HTZSSYRZSA-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