General Information of the Compound
| Compound ID |
CP0203365
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| Compound Name |
CHEMBL408712
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| Formula |
C30H30N6
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| Molecular Weight |
474.612
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCCCC1
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| InChI |
InChI=1S/C30H30N6/c31-29-28-27(22-10-9-21-11-12-25(33-26(21)19-22)20-7-3-1-4-8-20)34-30(36(28)16-13-32-29)23-17-24(18-23)35-14-5-2-6-15-35/h1,3-4,7-13,16,19,23-24H,2,5-6,14-15,17-18H2,(H2,31,32)/t23-,24+
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| InChIKey |
BPDMUPHEAYZMGQ-PSWAGMNNSA-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