General Information of the Compound
| Compound ID |
CP0451457
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| Compound Name |
CHEMBL2059586
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| Formula |
C29H46N6O3S
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| Molecular Weight |
558.793
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| Canonical SMILES |
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C29H46N6O3S/c1-22(2)35-27-11-7-6-10-26(27)28(31-35)29(36)30-23-20-24-12-13-25(21-23)34(24)15-9-5-4-8-14-32-16-18-33(19-17-32)39(3,37)38/h6-7,10-11,22-25H,4-5,8-9,12-21H2,1-3H3,(H,30,36)/t23-,24+,25-
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| InChIKey |
ZHTVCYAAJGXYQW-QEIWAGNOSA-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