General Information of the Compound
| Compound ID |
CP0522783
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| Compound Name |
CHEMBL500824
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| Formula |
C39H48N4O2
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| Molecular Weight |
604.839
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| Canonical SMILES |
COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1cccc(C)c1C
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| InChI |
InChI=1S/C39H48N4O2/c1-27-11-10-14-34(28(27)2)37(38(44)45-4)41-22-19-39(20-23-41,30-12-6-5-7-13-30)21-24-42-31-17-18-32(42)26-33(25-31)43-29(3)40-35-15-8-9-16-36(35)43/h5-16,31-33,37H,17-26H2,1-4H3/t31-,32+,33+,37?
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| InChIKey |
FJROMRAVXXGMPG-ZCJGYHHRSA-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