General Information of the Compound
| Compound ID |
CP0566987
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| Compound Name |
1-[1-[4-[5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carbonyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-5-methylpyrazol-4-yl]butan-1-one
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| Structure |
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| Formula |
C32H35ClN6O4
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| Molecular Weight |
603.123
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc2N(CCOc2c1)C(=O)c1cn(CC(=O)N2CCN(C)CC2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C32H35ClN6O4/c1-4-5-29(40)25-18-34-39(21(25)2)23-7-9-28-30(17-23)43-15-14-38(28)32(42)26-19-37(27-8-6-22(33)16-24(26)27)20-31(41)36-12-10-35(3)11-13-36/h6-9,16-19H,4-5,10-15,20H2,1-3H3
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| InChIKey |
ZEPYQOKZKRUNGH-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