General Information of the Compound
| Compound ID |
CP0572570
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| Compound Name |
CHEMBL5199857
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| Formula |
C27H38N6O3
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| Molecular Weight |
494.64
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| Canonical SMILES |
Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C27H38N6O3/c28-26-25(27(35)30-21-5-7-23(34)8-6-21)31-24(17-29-26)20-3-1-19(2-4-20)18-32-11-9-22(10-12-32)33-13-15-36-16-14-33/h1-4,17,21-23,34H,5-16,18H2,(H2,28,29)(H,30,35)/t21-,23-
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| InChIKey |
YIBUFPDRWWKMQF-AFARHQOCSA-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