General Information of the Compound
| Compound ID |
CP0501649
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| Compound Name |
(2E)-N-[3-(dimethylamino)propyl]-3-[16-(hydroxymethyl)-5-oxo-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(13),9,11,19,21,23-nonaen-10-yl]prop-2-enamide
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| Structure |
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| Formula |
C32H33N5O3
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| Molecular Weight |
535.648
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| Canonical SMILES |
CN(C)CCCNC(=O)\C=C\c1ccc2n3CC(CO)Cn4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
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| InChI |
InChI=1S/C32H33N5O3/c1-35(2)13-5-12-33-26(39)11-9-19-8-10-25-22(14-19)28-29-23(15-34-32(29)40)27-21-6-3-4-7-24(21)36-16-20(18-38)17-37(25)31(28)30(27)36/h3-4,6-11,14,20,38H,5,12-13,15-18H2,1-2H3,(H,33,39)(H,34,40)/b11-9+
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| InChIKey |
OPRAUJGAKIICCS-PKNBQFBNSA-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