General Information of the Compound
| Compound ID |
CP0875588
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| Compound Name |
(7S,13S)-7-[(3-chlorophenyl)methyl]-13-sec-butyl-spiro[17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-trien-2-yne-10,1'-cyclopentane]-6,9,12-trione
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| Structure |
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| Formula |
C32H39ClN4O4
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| Molecular Weight |
579.141
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2C#CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C32H39ClN4O4/c1-3-22(2)28-30(39)37-32(15-6-7-16-32)31(40)36-26(21-23-10-8-13-25(33)20-23)29(38)35-17-9-12-24-11-4-5-14-27(24)41-19-18-34-28/h4-5,8,10-11,13-14,20,22,26,28,34H,3,6-7,15-19,21H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/t22-,26-,28-/m0/s1
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| InChIKey |
VYMGQZXFLBFKNS-MCOVPRHSSA-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