General Information of the Compound
| Compound ID |
CP0426876
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| Compound Name |
10,16-bis(hydroxymethyl)-22-[(1E)-3-(1H-imidazol-1-yl)prop-1-en-1-yl]-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 |
C31H27N5O3
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| Molecular Weight |
517.589
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| Canonical SMILES |
OCC1Cn2c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(\C=C\Cn6ccnc6)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C31H27N5O3/c37-15-19-4-6-24-21(11-19)26-23-12-33-31(39)28(23)27-22-10-18(2-1-8-34-9-7-32-17-34)3-5-25(22)36-14-20(16-38)13-35(24)29(26)30(27)36/h1-7,9-11,17,20,37-38H,8,12-16H2,(H,33,39)/b2-1+
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| InChIKey |
FMUKNNVZPSKGJO-OWOJBTEDSA-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