General Information of the Compound
| Compound ID |
CP0893951
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| Compound Name |
(3aS,6R,20S)-6-benzyl-20-propyl-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 |
C30H40N4O4
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| Molecular Weight |
520.674
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
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| InChI |
InChI=1S/C30H40N4O4/c1-2-10-24-30(37)34-19-9-15-26(34)29(36)33-25(21-22-11-4-3-5-12-22)28(35)32-17-8-14-23-13-6-7-16-27(23)38-20-18-31-24/h3-7,11-13,16,24-26,31H,2,8-10,14-15,17-21H2,1H3,(H,32,35)(H,33,36)/t24-,25+,26-/m0/s1
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| InChIKey |
SCDFKVJUJLJEMZ-NXCFDTQHSA-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