General Information of the Compound
| Compound ID |
CP0435606
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| Compound Name |
CHEMBL4550659
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| Formula |
C33H43N9O
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| Molecular Weight |
581.769
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCC(O)C3)c2n1
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| InChI |
InChI=1S/C33H43N9O/c34-24-6-8-26(9-7-24)37-33-38-31(30-32(39-33)42(22-35-30)28-14-15-29(43)20-28)36-25-10-12-27(13-11-25)41-18-16-40(17-19-41)21-23-4-2-1-3-5-23/h1-5,10-13,22,24,26,28-29,43H,6-9,14-21,34H2,(H2,36,37,38,39)/t24-,26-,28?,29?
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| InChIKey |
SIVNXBQLZDLVRT-KITUSQEJSA-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