General Information of the Compound
| Compound ID |
CP0538055
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| Compound Name |
CHEMBL4552410
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| Formula |
C29H36N6O2S
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| Molecular Weight |
532.714
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(s1)C(N)=O
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| InChI |
InChI=1S/C29H36N6O2S/c1-19-6-8-20(9-7-19)28(37)32-23-5-3-4-21(18-23)29-33-27(25(38-29)26(30)36)31-22-10-12-24(13-11-22)35-16-14-34(2)15-17-35/h3-5,10-13,18-20,31H,6-9,14-17H2,1-2H3,(H2,30,36)(H,32,37)/t19-,20-
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| InChIKey |
SAIKHPCPGOGLQF-MXVIHJGJSA-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