General Information of the Compound
| Compound ID |
CP0571423
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| Compound Name |
CHEMBL4643872
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(C)nc(C)c1
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| InChI |
InChI=1S/C27H35N5O2/c1-6-34-27(33)22-15-28-24-12-11-23(20-13-17(2)29-18(3)14-20)31-26(24)25(22)30-21-9-7-19(8-10-21)16-32(4)5/h11-15,19,21H,6-10,16H2,1-5H3,(H,28,30)/t19-,21-
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| InChIKey |
SRTZMLKGVAEWOV-XUTJKUGGSA-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