General Information of the Compound
| Compound ID |
CP0908006
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| Compound Name |
SID125306694
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| Structure |
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| Formula |
C29H35N3O7
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| Molecular Weight |
537.613
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| Canonical SMILES |
COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2
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| InChI |
InChI=1S/C29H35N3O7/c1-28(2)9-8-23-29(19-28,27(36)37-3)17-20(25(34)32(23)18-21-6-4-14-38-21)16-24(33)30-10-12-31(13-11-30)26(35)22-7-5-15-39-22/h4-8,14-15,20H,9-13,16-19H2,1-3H3/t20-,29-/m1/s1
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| InChIKey |
IZXPNNCYFGOGHU-ACSYHNTCSA-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