General Information of the Compound
| Compound ID |
CP0571309
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| Compound Name |
N-[5-[4-[(3-fluorophenyl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C30H32FN7O2
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| Molecular Weight |
541.631
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cccc(F)c3)c(C)c2)CC1
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| InChI |
InChI=1S/C30H32FN7O2/c1-20-16-23(10-11-26(20)33-30(40)32-25-5-3-4-24(31)17-25)27-18-28(36-35-27)34-29(39)22-8-6-21(7-9-22)19-38-14-12-37(2)13-15-38/h3-11,16-18H,12-15,19H2,1-2H3,(H2,32,33,40)(H2,34,35,36,39)
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| InChIKey |
XHSBGOCHLWEZIE-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