General Information of the Compound
| Compound ID |
CP0376762
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| Compound Name |
CHEMBL2160035
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| Formula |
C28H27ClFN3OS
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| Molecular Weight |
508.062
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl
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| InChI |
InChI=1S/C28H27ClFN3OS/c1-31-22-6-8-23(9-7-22)33(17-18-3-2-4-20(15-18)19-11-13-32-14-12-19)28(34)27-26(29)24-10-5-21(30)16-25(24)35-27/h2-5,10-16,22-23,31H,6-9,17H2,1H3/t22-,23-
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| InChIKey |
TUNKKTFGWJKZQN-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