General Information of the Compound
| Compound ID |
CP0875577
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| Compound Name |
(2S,5S,11S,Z)-5-sec-butyl-11-(3-chlorobenzyl)-2-methyl-2,3,4,4',5,5',10,11,13,14-decahydro-2'H-spiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,3'-furan]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C32H41ClN4O5
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| Molecular Weight |
597.156
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCOC2)NC1=O
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| InChI |
InChI=1S/C32H41ClN4O5/c1-4-21(2)28-30(39)37-32(14-16-41-20-32)31(40)36-26(18-23-9-7-12-25(33)17-23)29(38)34-15-8-11-24-10-5-6-13-27(24)42-22(3)19-35-28/h5-13,17,21-22,26,28,35H,4,14-16,18-20H2,1-3H3,(H,34,38)(H,36,40)(H,37,39)/b11-8-/t21-,22-,26-,28-,32?/m0/s1
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| InChIKey |
QRRCWLGGGQZIQF-UMJQUKJYSA-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