General Information of the Compound
| Compound ID |
CP0576432
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| Compound Name |
US9365511, 35
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| Structure |
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| Formula |
C30H40N2O3
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| Molecular Weight |
476.661
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)C(=O)CCc1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C30H40N2O3/c1-3-35-30(34)28-17-21-32(22-18-28)29(33)15-10-24-6-11-26(12-7-24)27-13-8-25(9-14-27)16-20-31-19-4-5-23(31)2/h6-9,11-14,23,28H,3-5,10,15-22H2,1-2H3/t23-/m1/s1
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| InChIKey |
NIDDDEAVYAHNSA-HSZRJFAPSA-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