General Information of the Compound
| Compound ID |
CP0911464
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| Compound Name |
(5S,11S)-5-sec-butyl-11-(3-chlorobenzyl)-16,16-dimethyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C34H47ClN4O4
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| Molecular Weight |
611.227
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2C(C)(C)CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C34H47ClN4O4/c1-5-23(2)29-31(41)39-34(15-8-9-16-34)32(42)38-27(22-24-11-10-12-25(35)21-24)30(40)37-18-17-33(3,4)26-13-6-7-14-28(26)43-20-19-36-29/h6-7,10-14,21,23,27,29,36H,5,8-9,15-20,22H2,1-4H3,(H,37,40)(H,38,42)(H,39,41)/t23-,27-,29-/m0/s1
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| InChIKey |
OMFYOWRPZLJURF-HTZJHERLSA-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