General Information of the Compound
| Compound ID |
CP0501651
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| Compound Name |
16-(hydroxymethyl)-10,22-bis[(propan-2-yloxy)methyl]-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
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| Structure |
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
CC(C)OCc1ccc2n3CC(CO)Cn4c5ccc(COC(C)C)cc5c5c6C(=O)NCc6c(c2c1)c3c45
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| InChI |
InChI=1S/C32H35N3O4/c1-17(2)38-15-19-5-7-25-22(9-19)27-24-11-33-32(37)29(24)28-23-10-20(16-39-18(3)4)6-8-26(23)35-13-21(14-36)12-34(25)30(27)31(28)35/h5-10,17-18,21,36H,11-16H2,1-4H3,(H,33,37)
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| InChIKey |
RUKLNRDHXJTBOD-UHFFFAOYSA-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