General Information of the Compound
| Compound ID |
CP0864937
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-7,8-dimethyl-11-(thiophen-3-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 |
C27H36N4O4S
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| Molecular Weight |
512.676
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccsc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C27H36N4O4S/c1-18-25(32)30-22(16-19-11-15-36-17-19)26(33)29-12-5-7-20-6-3-4-8-23(20)35-14-13-28-24(21-9-10-21)27(34)31(18)2/h3-4,6,8,11,15,17-18,21-22,24,28H,5,7,9-10,12-14,16H2,1-2H3,(H,29,33)(H,30,32)/t18-,22-,24+/m1/s1
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| InChIKey |
XAGPFWKXWUBXPI-XANCMCCPSA-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