General Information of the Compound
| Compound ID |
CP0302863
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| Compound Name |
CHEMBL4547465
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| Formula |
C32H45N7OS
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| Molecular Weight |
575.827
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| Canonical SMILES |
CC(C)Sc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1
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| InChI |
InChI=1S/C32H45N7OS/c1-20(2)41-30-23(4-3-9-34-30)17-36-31-37-18-26(15-33)29(39-31)38-19-32-12-22-10-24(13-32)28(25(11-22)14-32)35-16-21-5-7-27(40)8-6-21/h3-4,9,18,20-22,24-25,27-28,35,40H,5-8,10-14,16-17,19H2,1-2H3,(H2,36,37,38,39)/t21-,22?,24?,25?,27-,28?,32?
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| InChIKey |
WUXGYBADOQHIAC-RJQVWWFHSA-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