General Information of the Compound
| Compound ID |
CP0436599
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| Compound Name |
CHEMBL2087331
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| Formula |
C27H39N5O4
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| Molecular Weight |
497.64
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(=O)N(C)C)c1=O
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| InChI |
InChI=1S/C27H39N5O4/c1-17(2)32-24-9-7-6-8-18(24)12-23(26(32)35)25(34)28-19-13-20-10-11-21(14-19)31(20)16-22(33)15-30(5)27(36)29(3)4/h6-9,12,17,19-22,33H,10-11,13-16H2,1-5H3,(H,28,34)/t19-,20+,21-,22?
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| InChIKey |
NTAPIBLFXPPPJL-PVTQMLBVSA-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