General Information of the Compound
| Compound ID |
CP0566986
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| Compound Name |
N-[4-(4-acetyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C28H29ClN6O3
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| Molecular Weight |
533.032
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)
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| InChIKey |
UEYBLYWXOJIQPE-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