General Information of the Compound
| Compound ID |
CP0887476
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| Compound Name |
SID87349247
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| Structure |
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| Formula |
C35H39N5O4
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| Molecular Weight |
593.728
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| Canonical SMILES |
C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCCCC1
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| InChI |
InChI=1S/C35H39N5O4/c1-35-28(34(43)39-16-5-2-6-17-39)20-24(22-31(41)37-15-12-25-8-3-4-14-36-25)33(42)40(35)18-13-27-26-11-10-23(30-9-7-19-44-30)21-29(26)38-32(27)35/h3-4,7-11,14,19,21,24,28,38H,2,5-6,12-13,15-18,20,22H2,1H3,(H,37,41)/t24-,28-,35+/m1/s1
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| InChIKey |
IJRDNLQWQRRTMV-WHMROJOYSA-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