General Information of the Compound
| Compound ID |
CP0858819
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-11-isobutyl-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 |
C28H46N4O4
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| Molecular Weight |
502.7
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| Canonical SMILES |
CC[C@H](C)[C@]1(C)NCCOc2ccccc2CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C28H46N4O4/c1-8-20(4)28(6)27(35)32(7)21(5)25(33)31-23(18-19(2)3)26(34)29-15-11-13-22-12-9-10-14-24(22)36-17-16-30-28/h9-10,12,14,19-21,23,30H,8,11,13,15-18H2,1-7H3,(H,29,34)(H,31,33)/t20-,21+,23+,28-/m0/s1
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| InChIKey |
DQRYTWNZMVCUJH-VUZRLSQNSA-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