General Information of the Compound
| Compound ID |
CP0945398
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| Compound Name |
(4S,7R,10R)-10-benzyl-4-sec-butyl-6,7-dimethyl-1,2,3,4,6,7,9,10,13,14,15,16-dodecahydrobenzo[m][1,4,7,10]tetraazacyclooctadecine-5,8,11(12H)-trione
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| Structure |
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| Formula |
C31H44N4O3
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| Molecular Weight |
520.718
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H44N4O3/c1-5-22(2)28-31(38)35(4)23(3)29(36)34-27(21-24-13-7-6-8-14-24)30(37)33-19-12-11-17-25-15-9-10-16-26(25)18-20-32-28/h6-10,13-16,22-23,27-28,32H,5,11-12,17-21H2,1-4H3,(H,33,37)(H,34,36)/t22-,23+,27+,28-/m0/s1
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| InChIKey |
RGMOACDBUCYVNU-YRXNKSPZSA-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