General Information of the Compound
| Compound ID |
CP0867093
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| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-7,8-dimethyl-1-oxa-4,7,10,13-tetraazacycloheptadec-15-ene-6,9,12-trione
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| Structure |
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| Formula |
C25H38N4O4
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| Molecular Weight |
458.603
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOC/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C25H38N4O4/c1-5-18(2)22-25(32)29(4)19(3)23(30)28-21(17-20-11-7-6-8-12-20)24(31)27-13-9-10-15-33-16-14-26-22/h6-12,18-19,21-22,26H,5,13-17H2,1-4H3,(H,27,31)(H,28,30)/b10-9-/t18-,19+,21+,22-/m0/s1
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| InChIKey |
ICUABXYGFOEQSH-BLTSOROKSA-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