General Information of the Compound
| Compound ID |
CP0875151
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| Compound Name |
(3S,9S)-3-sec-butyl-9-(3-chlorobenzyl)-2,3,8,9,11,12,13,14,15,16-decahydro-1H-spiro[benzo[l][1,4,7,10]tetraazacyclooctadecine-6,1'-cyclopentane]-4,7,10(5H)-trione
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| Structure |
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| Formula |
C33H45ClN4O3
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| Molecular Weight |
581.201
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H45ClN4O3/c1-3-23(2)29-31(40)38-33(17-8-9-18-33)32(41)37-28(21-24-12-11-16-27(34)20-24)30(39)35-19-10-4-5-13-25-14-6-7-15-26(25)22-36-29/h6-7,11-12,14-16,20,23,28-29,36H,3-5,8-10,13,17-19,21-22H2,1-2H3,(H,35,39)(H,37,41)(H,38,40)/t23-,28-,29-/m0/s1
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| InChIKey |
GTZQGELSPPQBHO-OIFPXGRLSA-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