General Information of the Compound
| Compound ID |
CP0400124
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| Compound Name |
CHEMBL2012612
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCC2)s1
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| InChI |
InChI=1S/C24H31N3O3S/c28-22(29)15-17-5-8-18(9-6-17)19-10-12-20(13-11-19)23(30)25-24-27-26-21(31-24)14-7-16-3-1-2-4-16/h10-13,16-18H,1-9,14-15H2,(H,28,29)(H,25,27,30)/t17-,18-
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| InChIKey |
SNSDPPUMYZIVMV-IYARVYRRSA-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