General Information of the Compound
| Compound ID |
CP0902496
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| Compound Name |
SID131455760
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| Structure |
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| Formula |
C29H38N2O5
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| Molecular Weight |
494.632
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| Canonical SMILES |
O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1
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| InChI |
InChI=1S/C29H38N2O5/c32-23-19-31(18-22-9-11-25(12-10-22)35-24-7-3-1-4-8-24)27-14-13-26(36-28(27)21-34-20-23)17-29(33)30-15-5-2-6-16-30/h1,3-4,7-12,23,26-28,32H,2,5-6,13-21H2/t23-,26+,27-,28+/m0/s1
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| InChIKey |
AJJNFICSFRNOLM-NXKWUFEUSA-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