General Information of the Compound
| Compound ID |
CP0550690
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| Compound Name |
CHEMBL4467012
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| Formula |
C31H41N9O
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| Molecular Weight |
555.731
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(CCCO)c2n1
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| InChI |
InChI=1S/C31H41N9O/c32-24-7-9-26(10-8-24)35-31-36-29(28-30(37-31)40(22-33-28)15-4-20-41)34-25-11-13-27(14-12-25)39-18-16-38(17-19-39)21-23-5-2-1-3-6-23/h1-3,5-6,11-14,22,24,26,41H,4,7-10,15-21,32H2,(H2,34,35,36,37)/t24-,26-
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| InChIKey |
QFOHSCRWDQUXAT-YOCNBXQISA-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