General Information of the Compound
| Compound ID |
CP0521496
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| Compound Name |
US9163012, 53
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| Structure |
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| Formula |
C24H29N3O3S
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| Molecular Weight |
439.581
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| Canonical SMILES |
Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C24H29N3O3S/c1-26-6-4-16(12-21(26)28)19-13-31-23(25-19)20-3-2-5-27(20)24(29)30-22-17-8-14-7-15(10-17)11-18(22)9-14/h4,6,12-15,17-18,20,22H,2-3,5,7-11H2,1H3/t14?,15?,17?,18?,20-,22?/m1/s1
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| InChIKey |
VOOUNAQQLKAMAA-FOQJIBBJSA-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