General Information of the Compound
| Compound ID |
CP0200170
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| Compound Name |
CHEMBL3622351
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| Formula |
C27H29N5O5S2
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| Molecular Weight |
567.693
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)Nc1nnc(s1)C1CC1)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C27H29N5O5S2/c1-36-20-8-5-9-21-22(20)23(32-39(21,34)35)28-16-27(18-6-3-2-4-7-18)14-12-19(13-15-27)37-26(33)29-25-31-30-24(38-25)17-10-11-17/h2-9,17,19H,10-16H2,1H3,(H,28,32)(H,29,31,33)/t19-,27-
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| InChIKey |
SLEKHKOESUNGDP-GEQDBVPJSA-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