General Information of the Compound
| Compound ID |
CP0267608
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| Compound Name |
CHEMBL4753081
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| Formula |
C28H27Cl2F3N6O3S
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| Molecular Weight |
655.53
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| Canonical SMILES |
Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1
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| InChI |
InChI=1S/C28H26ClF3N6O3S.ClH/c1-14-10-18-25(34-13-35-27(18)36-17-5-3-16(33)4-6-17)19(11-14)28(39)37-26-20(29)7-9-22(24(26)32)38-42(40,41)23-12-15(30)2-8-21(23)31;/h2,7-13,16-17,38H,3-6,33H2,1H3,(H,37,39)(H,34,35,36);1H/t16-,17-;
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| InChIKey |
VUEVDUBSSBJDSP-BHQIMSFRSA-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