General Information of the Compound
| Compound ID |
CP0902774
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| Compound Name |
(5R,8R,11R)-5-(aminomethyl)-11-(4-fluorobenzyl)-7,8-dimethyl-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 |
C27H36FN5O4
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| Molecular Weight |
513.614
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CN)C(=O)N1C
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| InChI |
InChI=1S/C27H36FN5O4/c1-18-25(34)32-22(16-19-9-11-21(28)12-10-19)26(35)31-13-5-7-20-6-3-4-8-24(20)37-15-14-30-23(17-29)27(36)33(18)2/h3-4,6,8-12,18,22-23,30H,5,7,13-17,29H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23+/m1/s1
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| InChIKey |
RWHKBJJDFWYMNX-YSZBQJHXSA-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