General Information of the Compound
| Compound ID |
CP0542101
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| Compound Name |
CHEMBL4633697
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H32N4O4/c1-4-35-27(34)21-15-28-23-14-13-22(18-7-9-19(10-8-18)26(32)33)30-25(23)24(21)29-20-11-5-17(6-12-20)16-31(2)3/h7-10,13-15,17,20H,4-6,11-12,16H2,1-3H3,(H,28,29)(H,32,33)/t17-,20-
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| InChIKey |
ZHUQLKCPIBDRKM-IRJFHVNHSA-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