General Information of the Compound
| Compound ID |
CP0553475
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| Compound Name |
[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl] 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxylate
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| Structure |
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| Formula |
C30H32ClN5O4
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| Molecular Weight |
562.07
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(OC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C30H32ClN5O4/c1-4-5-28(37)25-17-32-36(20(25)2)22-7-9-23(10-8-22)40-30(39)26-18-35(27-11-6-21(31)16-24(26)27)19-29(38)34-14-12-33(3)13-15-34/h6-11,16-18H,4-5,12-15,19H2,1-3H3
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| InChIKey |
MFTNUFUMHSJQIL-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