General Information of the Compound
| Compound ID |
CP0506946
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| Compound Name |
US8940771, 54
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| Structure |
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| Formula |
C26H29N5O3S
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| Molecular Weight |
491.617
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| Canonical SMILES |
COc1ccc(cc1)C1(CC1)c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C
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| InChI |
InChI=1S/C26H29N5O3S/c1-16-21(35-23(29-16)30-24(33)31-14-4-10-25(31,2)22(27)32)17-9-13-28-20(15-17)26(11-12-26)18-5-7-19(34-3)8-6-18/h5-9,13,15H,4,10-12,14H2,1-3H3,(H2,27,32)(H,29,30,33)/t25-/m0/s1
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| InChIKey |
VESJBAHLKLTQIE-VWLOTQADSA-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