General Information of the Compound
| Compound ID |
CP0882352
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| Compound Name |
SID85813514
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| Structure |
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| Formula |
C32H41N5O4
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| Molecular Weight |
559.711
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(N(C)C)cc2C1=O
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| InChI |
InChI=1S/C32H41N5O4/c1-21-17-37(22(2)20-38)32(40)26-16-25(35(3)4)14-15-29(26)41-30(21)19-36(5)18-23-10-12-24(13-11-23)31(39)34-28-9-7-6-8-27(28)33/h6-16,21-22,30,38H,17-20,33H2,1-5H3,(H,34,39)/t21-,22+,30-/m0/s1
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| InChIKey |
QVMJLFZOFFUGMH-ZQLNOWDWSA-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