General Information of the Compound
| Compound ID |
CP0572569
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| Compound Name |
CHEMBL5206645
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| Formula |
C27H40N6O2
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| Molecular Weight |
480.657
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| Canonical SMILES |
CCN(CC)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1
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| InChI |
InChI=1S/C27H40N6O2/c1-3-33(4-2)22-13-15-32(16-14-22)18-19-5-7-20(8-6-19)24-17-29-26(28)25(31-24)27(35)30-21-9-11-23(34)12-10-21/h5-8,17,21-23,34H,3-4,9-16,18H2,1-2H3,(H2,28,29)(H,30,35)/t21-,23-
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| InChIKey |
OAKNPZKWHXRAQQ-AFARHQOCSA-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