General Information of the Compound
| Compound ID |
CP0500291
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| Compound Name |
CHEMBL3932217
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| Formula |
C32H39ClN2O6
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| Molecular Weight |
583.125
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| Canonical SMILES |
COC(=O)[C@H]1CC[C@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H]2CCc3cc(Cl)ccc23)CC1
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| InChI |
InChI=1S/C32H39ClN2O6/c1-39-29-17-22(5-12-28(29)41-16-15-35-30(36)13-14-31(35)37)20-34(19-21-3-6-23(7-4-21)32(38)40-2)27-11-8-24-18-25(33)9-10-26(24)27/h5,9-10,12,17-18,21,23,27H,3-4,6-8,11,13-16,19-20H2,1-2H3/t21-,23-,27-/m0/s1
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| InChIKey |
OMGBAHOOLBBDCP-MYIHVTGJSA-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