General Information of the Compound
| Compound ID |
CP0513901
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| Compound Name |
N-[(3R)-1-[4-(benzylamino)-6-[[(3S)-2-oxoazepan-3-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C27H33FN8O3S
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| Molecular Weight |
568.679
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| Canonical SMILES |
Cc1ccc(cc1F)S(=O)(=O)N[C@@H]1CCN(C1)c1nc(NCc2ccccc2)nc(N[C@H]2CCCCNC2=O)n1
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| InChI |
InChI=1S/C27H33FN8O3S/c1-18-10-11-21(15-22(18)28)40(38,39)35-20-12-14-36(17-20)27-33-25(30-16-19-7-3-2-4-8-19)32-26(34-27)31-23-9-5-6-13-29-24(23)37/h2-4,7-8,10-11,15,20,23,35H,5-6,9,12-14,16-17H2,1H3,(H,29,37)(H2,30,31,32,33,34)/t20-,23+/m1/s1
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| InChIKey |
BTJVBMZQYZDSSY-OFNKIYASSA-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