General Information of the Compound
| Compound ID |
CP0919532
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| Compound Name |
5-cyclopropyl-11-(4-fluorobenzyl)-7,8-dimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-pyrido[2,3-q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C28H36FN5O4
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| Molecular Weight |
525.625
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| Canonical SMILES |
CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCNC(C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C28H36FN5O4/c1-18-26(35)33-23(17-19-7-11-21(29)12-8-19)27(36)32-14-3-5-22-24(6-4-13-30-22)38-16-15-31-25(20-9-10-20)28(37)34(18)2/h4,6-8,11-13,18,20,23,25,31H,3,5,9-10,14-17H2,1-2H3,(H,32,36)(H,33,35)
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| InChIKey |
AVLZMCWGUMOQMM-UHFFFAOYSA-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