General Information of the Compound
| Compound ID |
CP0875154
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| Compound Name |
(5S,8R,11R)-11-(3-tert-butyl-4-hydroxybenzyl)-5-cyclopropyl-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 |
C33H46N4O5
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| Molecular Weight |
578.754
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(O)c(C(C)(C)C)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C33H46N4O5/c1-21-30(39)36-26(20-22-12-15-27(38)25(19-22)33(2,3)4)31(40)35-16-8-10-23-9-6-7-11-28(23)42-18-17-34-29(24-13-14-24)32(41)37(21)5/h6-7,9,11-12,15,19,21,24,26,29,34,38H,8,10,13-14,16-18,20H2,1-5H3,(H,35,40)(H,36,39)/t21-,26-,29+/m1/s1
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| InChIKey |
HOZPUZVTFVIYIY-FCTLNWHPSA-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