General Information of the Compound
| Compound ID |
CP0462441
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| Compound Name |
CHEMBL402776
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| Formula |
C26H40N6O
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| Molecular Weight |
452.647
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| Canonical SMILES |
CC(C)NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1
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| InChI |
InChI=1S/C26H40N6O/c1-18(2)25-29-28-20(5)32(25)24-16-22-12-13-23(17-24)30(22)14-9-15-31(26(33)27-19(3)4)21-10-7-6-8-11-21/h6-8,10-11,18-19,22-24H,9,12-17H2,1-5H3,(H,27,33)/t22-,23+,24+
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| InChIKey |
YRYVZPIAIBHXNY-UBRQYEGLSA-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