General Information of the Compound
| Compound ID |
CP0385329
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| Compound Name |
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-2,18-dimethyl-7-pyridin-2-yl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]ethanone
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| Structure |
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| Formula |
C34H36N4O3S2
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| Molecular Weight |
612.821
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccccn3)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C34H36N4O3S2/c1-32-16-20-18-36-38(29-9-5-6-14-35-29)25(20)15-21(32)10-11-22-23-12-13-34(41,33(23,2)17-26(39)30(22)32)28(40)19-42-31-37-24-7-3-4-8-27(24)43-31/h3-9,14-15,18,22-23,26,30,39,41H,10-13,16-17,19H2,1-2H3/t22-,23-,26-,30+,32-,33-,34-/m0/s1
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| InChIKey |
QAVVGRQLUCJGGA-CFWAKXNESA-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