General Information of the Compound
| Compound ID |
CP0911120
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(3,4-dimethoxybenzyl)-7,8-dimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C31H42N4O6
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| Molecular Weight |
566.699
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| Canonical SMILES |
COc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1OC
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| InChI |
InChI=1S/C31H42N4O6/c1-20-29(36)34-24(18-21-11-14-26(39-3)27(19-21)40-4)30(37)33-15-7-9-22-8-5-6-10-25(22)41-17-16-32-28(23-12-13-23)31(38)35(20)2/h5-6,8,10-11,14,19-20,23-24,28,32H,7,9,12-13,15-18H2,1-4H3,(H,33,37)(H,34,36)/t20-,24-,28+/m1/s1
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| InChIKey |
MQMJDPGPEHVJCH-GDRRSRKRSA-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