General Information of the Compound
| Compound ID |
CP0456206
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| Compound Name |
CHEMBL2414651
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| Formula |
C26H35N5O4
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| Molecular Weight |
481.597
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| Canonical SMILES |
CC(C)[C@H](CO)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C26H35N5O4/c1-16(2)21(14-32)30-22(33)13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)31-11-12-35-25-23(26(31)34)24(27)28-15-29-25/h7-10,15-18,21,32H,3-6,11-14H2,1-2H3,(H,30,33)(H2,27,28,29)/t17-,18-,21-/m0/s1
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| InChIKey |
BFCNMVMRHRTROA-WFXMLNOXSA-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