General Information of the Compound
| Compound ID |
CP0517671
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| Compound Name |
CHEMBL4460354
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| Formula |
C24H31N3O4S
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| Molecular Weight |
457.596
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| Canonical SMILES |
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H31N3O4S/c1-23(2)14-24(15-30-23)9-6-18(7-10-24)31-22-13-21(25-16-26-22)27-11-8-17-12-19(32(3,28)29)4-5-20(17)27/h4-5,12-13,16,18H,6-11,14-15H2,1-3H3/t18-,24+
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| InChIKey |
UZFIQSZDZSPYTR-OWWJJEGGSA-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