General Information of the Compound
| Compound ID |
CP0567697
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| Compound Name |
CHEMBL5194455
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| Formula |
C28H40N6OS
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| Molecular Weight |
508.736
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(s1)C#N
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| InChI |
InChI=1S/C28H40N6OS/c1-18(2)27-32-31-19(3)34(27)23-15-21-9-10-22(16-23)33(21)14-13-25(26-12-11-24(17-29)36-26)30-28(35)20-7-5-4-6-8-20/h11-12,18,20-23,25H,4-10,13-16H2,1-3H3,(H,30,35)/t21-,22+,23+,25-/m0/s1
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| InChIKey |
SJSMJONZJKYFSI-KBOSCXGNSA-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