General Information of the Compound
| Compound ID |
CP0577333
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| Compound Name |
(4R)-1-morpholin-4-yl-4-[(1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-5-thia-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),6,10-trien-17-yl]pentan-1-one
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| Structure |
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| Formula |
C30H45N3O2S
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| Molecular Weight |
511.776
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nnsc5C[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C30H45N3O2S/c1-19(6-11-26(34)33-14-16-35-17-15-33)21-8-9-22-20-7-10-25-28(2,3)27-24(36-32-31-27)18-30(25,5)23(20)12-13-29(21,22)4/h10,19-23H,6-9,11-18H2,1-5H3/t19-,20+,21-,22+,23+,29-,30-/m1/s1
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| InChIKey |
QIPWEWRMRHKRDP-VFWZBJTGSA-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