General Information of the Compound
| Compound ID |
CP0576379
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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-(4-methylphenyl)pentanamide
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| Structure |
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| Formula |
C36H49N3O2
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| Molecular Weight |
555.807
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| Canonical SMILES |
C[C@H](CCC(=O)Nc1ccc(C)cc1)[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/C36H49N3O2/c1-22-8-11-26(12-9-22)38-32(41)17-10-23(2)28-14-15-29-27-13-16-31-34(4,5)33-25(21-37-39(33)24(3)40)20-36(31,7)30(27)18-19-35(28,29)6/h8-9,11-12,16,21,23,27-30H,10,13-15,17-20H2,1-7H3,(H,38,41)/t23-,27+,28-,29+,30+,35-,36-/m1/s1
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| InChIKey |
XJFSTZRCUIVBRJ-USFHAGJXSA-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