General Information of the Compound
| Compound ID |
CP0514710
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| Compound Name |
CHEMBL2087332
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| Formula |
C25H34N4O5
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| Molecular Weight |
470.57
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| Canonical SMILES |
COC(=O)NCC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O
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| InChI |
InChI=1S/C25H34N4O5/c1-15(2)29-22-7-5-4-6-16(22)10-21(24(29)32)23(31)27-17-11-18-8-9-19(12-17)28(18)14-20(30)13-26-25(33)34-3/h4-7,10,15,17-20,30H,8-9,11-14H2,1-3H3,(H,26,33)(H,27,31)/t17-,18+,19-,20?
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| InChIKey |
FYFQAPBLBAOPHI-RKZNWXTNSA-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