General Information of the Compound
| Compound ID |
CP0575114
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| Compound Name |
CHEMBL4846477
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| Formula |
C29H30ClN3O2S
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| Molecular Weight |
520.098
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OC)c1)C(=O)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C29H30ClN3O2S/c1-31-22-10-12-23(13-11-22)33(29(34)28-27(30)24-8-3-4-9-25(24)36-28)18-19-6-5-7-20(16-19)21-14-15-32-26(17-21)35-2/h3-9,14-17,22-23,31H,10-13,18H2,1-2H3/t22-,23-
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| InChIKey |
ROVZDWXVQIHSRD-YHBQERECSA-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