General Information of the Compound
| Compound ID |
CP0260072
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| Compound Name |
(7R,10R,13S,16R)-13-cyclopropyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
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| Structure |
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| Formula |
C31H39FN4O4
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| Molecular Weight |
550.675
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| Canonical SMILES |
C[C@H]1N(C)C(=O)[C@@H](NC[C@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1
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| InChI |
InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25-,26-,27+/m1/s1
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| InChIKey |
WUOSQYXJIXLPTP-LBHSSTRISA-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