General Information of the Compound
| Compound ID |
CP0129690
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| Compound Name |
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-indazole-3-carboxamide
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| Formula |
C30H31F3N6O2
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| Molecular Weight |
564.612
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3n[nH]c4ccccc34)c2)CC1
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| InChI |
InChI=1S/C30H31F3N6O2/c1-3-38-12-14-39(15-13-38)18-21-10-9-20(16-24(21)30(31,32)33)28(40)34-22-11-8-19(2)26(17-22)35-29(41)27-23-6-4-5-7-25(23)36-37-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,34,40)(H,35,41)(H,36,37)
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| InChIKey |
BEPWKNJNJRDXPK-UHFFFAOYSA-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