General Information of the Compound
| Compound ID |
CP0151997
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| Compound Name |
(6S,9R,12R)-6-[(2S)-butan-2-yl]-8,9-dimethyl-12-(2-phenylethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H44N4O4/c1-5-22(2)28-31(38)35(4)23(3)29(36)34-26(18-17-24-12-7-6-8-13-24)30(37)33-19-11-15-25-14-9-10-16-27(25)39-21-20-32-28/h6-10,12-14,16,22-23,26,28,32H,5,11,15,17-21H2,1-4H3,(H,33,37)(H,34,36)/t22-,23+,26+,28-/m0/s1
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| InChIKey |
CKKKPTDEQLCSDS-WMSJLGCSSA-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