General Information of the Compound
| Compound ID |
CP0906041
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| Compound Name |
(2S,5S,8R,11R)-11-benzyl-5-sec-butyl-2,7,8-trimethyl-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 |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H44N4O4/c1-6-21(2)28-31(38)35(5)23(4)29(36)34-26(19-24-13-8-7-9-14-24)30(37)32-18-12-16-25-15-10-11-17-27(25)39-22(3)20-33-28/h7-11,13-15,17,21-23,26,28,33H,6,12,16,18-20H2,1-5H3,(H,32,37)(H,34,36)/t21-,22-,23+,26+,28-/m0/s1
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| InChIKey |
RVBJLOHKNJBPEL-OYZYJCQXSA-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