General Information of the Compound
| Compound ID |
CP0908029
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| Compound Name |
SID87542557
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| Structure |
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| Formula |
C34H41N3O4
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| Molecular Weight |
555.719
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H41N3O4/c1-23-19-37(24(2)22-38)33(39)18-29-17-30(35-34(40)28-13-14-28)15-16-31(29)41-32(23)21-36(3)20-25-9-11-27(12-10-25)26-7-5-4-6-8-26/h4-12,15-17,23-24,28,32,38H,13-14,18-22H2,1-3H3,(H,35,40)/t23-,24+,32+/m1/s1
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| InChIKey |
VPBPSAFWKPFOOJ-FXZPAHAQSA-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