General Information of the Compound
| Compound ID |
CP0915258
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| Compound Name |
tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-7-oxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
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| Formula |
C26H37N3O4
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| Molecular Weight |
455.599
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| Canonical SMILES |
COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3
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| InChI |
InChI=1S/C26H37N3O4/c1-15(2)11-21-24-19(18-9-8-17(32-6)12-20(18)28-24)13-22-25(31)27-16(14-29(21)22)7-10-23(30)33-26(3,4)5/h8-9,12,15-16,21-22,28H,7,10-11,13-14H2,1-6H3,(H,27,31)/t16-,21-,22-/m0/s1
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| InChIKey |
YFJZAFDYUVYHMH-SSKFGXFMSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1