General Information of the Compound
| Compound ID |
CP0528401
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| Compound Name |
CHEMBL509179
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| Formula |
C33H45N5O
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| Molecular Weight |
527.757
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| Canonical SMILES |
CCN(CC)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C33H45N5O/c1-4-35(5-2)32(39)36-20-17-33(18-21-36,26-11-7-6-8-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-25(3)34-30-13-9-10-14-31(30)38/h6-14,27-29H,4-5,15-24H2,1-3H3/t27-,28+,29+
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| InChIKey |
BSIFCMAWFLQILY-WLNZHLEZSA-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