General Information of the Compound
| Compound ID |
CP0502037
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| Compound Name |
CHEMBL441160
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| Formula |
C33H46N4O5
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| Molecular Weight |
578.754
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(cc2)C(=O)NCCC(O)=O)[C@H]2CC[C@@H](CC2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C33H46N4O5/c1-6-36(7-2)31(41)25-12-16-27(17-13-25)35-32(42)37(28-18-14-26(15-19-28)33(3,4)5)22-23-8-10-24(11-9-23)30(40)34-21-20-29(38)39/h8-13,16-17,26,28H,6-7,14-15,18-22H2,1-5H3,(H,34,40)(H,35,42)(H,38,39)/t26-,28-
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| InChIKey |
OIPFVCJQBKDETB-FBSWEULCSA-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