General Information of the Compound
| Compound ID |
CP0410215
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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-(oxan-4-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 |
C34H41N3O4S2
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| Molecular Weight |
619.853
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5C3CCOCC3)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C34H41N3O4S2/c1-32-16-20-18-35-37(22-10-13-41-14-11-22)26(20)15-21(32)7-8-23-24-9-12-34(40,33(24,2)17-27(38)30(23)32)29(39)19-42-31-36-25-5-3-4-6-28(25)43-31/h3-6,15,18,22-24,27,30,38,40H,7-14,16-17,19H2,1-2H3/t23-,24-,27-,30+,32-,33-,34-/m0/s1
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| InChIKey |
YVBCRAJMRUNFMY-VBWCSHTMSA-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