General Information of the Compound
| Compound ID |
CP0864463
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8,15-trimethyl-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 |
C30H39FN4O4
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| Molecular Weight |
538.664
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| Canonical SMILES |
CC1CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc2C1
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| InChI |
InChI=1S/C30H39FN4O4/c1-19-16-23-6-4-5-7-26(23)39-15-14-32-27(22-10-11-22)30(38)35(3)20(2)28(36)34-25(29(37)33-18-19)17-21-8-12-24(31)13-9-21/h4-9,12-13,19-20,22,25,27,32H,10-11,14-18H2,1-3H3,(H,33,37)(H,34,36)/t19?,20-,25-,27+/m1/s1
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| InChIKey |
XNKJWNJIPRCJSB-XWMYMNJZSA-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