General Information of the Compound
| Compound ID |
CP0568366
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| Compound Name |
1-[(1S,2R,13S,14S,17R,18R)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2,9,9,18-tetramethyl-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-7-yl]ethanone
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| Structure |
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| Formula |
C33H52N2O2
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| Molecular Weight |
508.791
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| Canonical SMILES |
CCC(O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)ncn5C(C)=O
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| InChI |
InChI=1S/C33H52N2O2/c1-9-33(37,10-2)18-15-21(3)24-12-13-25-23-11-14-28-30(5,6)29-27(34-20-35(29)22(4)36)19-32(28,8)26(23)16-17-31(24,25)7/h14,20-21,23-26,37H,9-13,15-19H2,1-8H3/t21-,23+,24-,25+,26+,31-,32-/m1/s1
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| InChIKey |
IBULKSSJWYOFBQ-PRIFARSNSA-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