General Information of the Compound
| Compound ID |
CP0439542
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| Compound Name |
16-(hydroxymethyl)-10,22-bis(morpholin-4-ylmethyl)-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 |
C34H37N5O4
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| Molecular Weight |
579.701
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| Canonical SMILES |
OCC1Cn2c3ccc(CN4CCOCC4)cc3c3c4CNC(=O)c4c4c5cc(CN6CCOCC6)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C34H37N5O4/c40-20-23-18-38-27-3-1-21(16-36-5-9-42-10-6-36)13-24(27)29-26-15-35-34(41)31(26)30-25-14-22(17-37-7-11-43-12-8-37)2-4-28(25)39(19-23)33(30)32(29)38/h1-4,13-14,23,40H,5-12,15-20H2,(H,35,41)
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| InChIKey |
RVKDLVRXEBRJLF-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