General Information of the Compound
| Compound ID |
CP0875140
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-7,8-dimethyl-11-(thiophen-2-ylmethyl)-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C28H40N4O4S
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| Molecular Weight |
528.719
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccs2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C28H40N4O4S/c1-5-19(2)25-28(35)32(4)20(3)26(33)31-23(18-22-12-9-17-37-22)27(34)30-14-8-11-21-10-6-7-13-24(21)36-16-15-29-25/h6-7,9-10,12-13,17,19-20,23,25,29H,5,8,11,14-16,18H2,1-4H3,(H,30,34)(H,31,33)/t19-,20+,23+,25-/m0/s1
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| InChIKey |
HADPWJXOAVRGCK-NNUZDRNGSA-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