General Information of the Compound
| Compound ID |
CP0890074
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| Compound Name |
SID99357780
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| Structure |
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| Formula |
C29H39N5O4
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| Molecular Weight |
521.662
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H39N5O4/c1-22-17-33(23(2)20-35)29(36)10-7-15-34-25(16-30-31-34)21-37-28(22)19-32(3)18-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,16,22-23,28,35H,7,10,15,17-21H2,1-3H3/t22-,23-,28+/m1/s1
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| InChIKey |
CUSMSBFNEHNGNQ-MRJKTFCFSA-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