General Information of the Compound
| Compound ID |
CP0577940
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| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-N-ethylpentanamide
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| Structure |
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| Formula |
C31H47N3O2
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| Molecular Weight |
493.736
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| Canonical SMILES |
CCNC(=O)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)cnn5C(C)=O
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| InChI |
InChI=1S/C31H47N3O2/c1-8-32-27(36)14-9-19(2)23-11-12-24-22-10-13-26-29(4,5)28-21(18-33-34(28)20(3)35)17-31(26,7)25(22)15-16-30(23,24)6/h13,18-19,22-25H,8-12,14-17H2,1-7H3,(H,32,36)/t19-,22+,23-,24+,25+,30-,31-/m1/s1
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| InChIKey |
PYOOUVQHMYAFJP-MNXOJTGISA-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