General Information of the Compound
| Compound ID |
CP0901819
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| Compound Name |
(5S,8S,11R)-11-benzyl-5,8-di-sec-butyl-7-methyl-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 |
C33H48N4O4
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| Molecular Weight |
564.771
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)N(C)C1=O
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| InChI |
InChI=1S/C33H48N4O4/c1-6-23(3)29-33(40)37(5)30(24(4)7-2)32(39)36-27(22-25-14-9-8-10-15-25)31(38)35-19-13-17-26-16-11-12-18-28(26)41-21-20-34-29/h8-12,14-16,18,23-24,27,29-30,34H,6-7,13,17,19-22H2,1-5H3,(H,35,38)(H,36,39)/t23-,24-,27+,29-,30-/m0/s1
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| InChIKey |
ZNEFUBYRYJLJGD-BGDFODRCSA-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