General Information of the Compound
| Compound ID |
CP0578372
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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-(1,3-benzothiazol-2-yl)pentanamide
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| Structure |
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| Formula |
C36H46N4O2S
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| Molecular Weight |
598.857
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| Canonical SMILES |
C[C@H](CCC(=O)Nc1nc2ccccc2s1)[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/C36H46N4O2S/c1-21(11-16-31(42)39-33-38-28-9-7-8-10-29(28)43-33)25-13-14-26-24-12-15-30-34(3,4)32-23(20-37-40(32)22(2)41)19-36(30,6)27(24)17-18-35(25,26)5/h7-10,15,20-21,24-27H,11-14,16-19H2,1-6H3,(H,38,39,42)/t21-,24+,25-,26+,27+,35-,36-/m1/s1
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| InChIKey |
KEPHULNDUWAVFG-CJXNGAFUSA-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