General Information of the Compound
| Compound ID |
CP0924061
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| Compound Name |
(2S,3aR,6R,20S)-6-benzyl-20-sec-butyl-2-hydroxy-3,3a,5,6,8,9,10,11,17,18,19,20-dodecahydro-1H-benzo[q]pyrrolo[1,2-g][1,4,7,10,13]oxatetraazacyclooctadecine-4,7,21(2H)-trione
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| Structure |
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| Formula |
C31H42N4O5
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| Molecular Weight |
550.7
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2C[C@H](O)CN2C1=O
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| InChI |
InChI=1S/C31H42N4O5/c1-3-21(2)28-31(39)35-20-24(36)19-26(35)30(38)34-25(18-22-10-5-4-6-11-22)29(37)33-15-9-13-23-12-7-8-14-27(23)40-17-16-32-28/h4-8,10-12,14,21,24-26,28,32,36H,3,9,13,15-20H2,1-2H3,(H,33,37)(H,34,38)/t21-,24-,25+,26+,28-/m0/s1
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| InChIKey |
PYPCCPAPVRTQHT-ONGBMWDZSA-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