General Information of the Compound
| Compound ID |
CP0901820
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| Compound Name |
(3R,6R,9S)-3-benzyl-9-sec-butyl-6,7-dimethyl-1,4,7,10-tetraazacycloheptadec-15-ene-2,5,8-trione
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| Structure |
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| Formula |
C26H40N4O3
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| Molecular Weight |
456.631
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCC/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C26H40N4O3/c1-5-19(2)23-26(33)30(4)20(3)24(31)29-22(18-21-14-10-9-11-15-21)25(32)28-17-13-8-6-7-12-16-27-23/h8-11,13-15,19-20,22-23,27H,5-7,12,16-18H2,1-4H3,(H,28,32)(H,29,31)/b13-8-/t19-,20+,22+,23-/m0/s1
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| InChIKey |
QZAJJBJTSOZGPU-PTKQQSPWSA-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