General Information of the Compound
| Compound ID |
CP0911397
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| Compound Name |
(E)-N-(4((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((3-(2-(pyridin-4-yl)vinyl)-1H-indazol-6-yl)thio)propanamide
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| Formula |
C30H31F3N6OS
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| Molecular Weight |
580.68
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(/C=C/c5ccncc5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H31F3N6OS/c1-38-13-15-39(16-14-38)20-22-3-4-23(18-26(22)30(31,32)33)35-29(40)10-17-41-24-5-6-25-27(36-37-28(25)19-24)7-2-21-8-11-34-12-9-21/h2-9,11-12,18-19H,10,13-17,20H2,1H3,(H,35,40)(H,36,37)/b7-2+
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| InChIKey |
QRTRMTJFIHGQND-FARCUNLSSA-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