General Information of the Compound
| Compound ID |
CP0573938
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| Compound Name |
CHEMBL5204737
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| Formula |
C27H37ClN6O3
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| Molecular Weight |
529.085
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| Canonical SMILES |
Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C27H37ClN6O3/c28-23-15-18(17-33-9-7-20(8-10-33)34-11-13-37-14-12-34)1-6-22(23)24-16-30-26(29)25(32-24)27(36)31-19-2-4-21(35)5-3-19/h1,6,15-16,19-21,35H,2-5,7-14,17H2,(H2,29,30)(H,31,36)/t19-,21-
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| InChIKey |
WTHNZLGFTPGGDY-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