General Information of the Compound
| Compound ID |
CP0345671
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| Compound Name |
N-[(2S)-3-[(5R)-2-(6-amino-5-cyclopropylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]-2-hydroxypropyl]-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C24H33FN6O3S
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| Molecular Weight |
504.632
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| Canonical SMILES |
Nc1ncnc(N2CC[C@]3(C2)CCCN(C[C@H](O)CNS(=O)(=O)c2ccccc2F)C3)c1C1CC1
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| InChI |
InChI=1S/C24H33FN6O3S/c25-19-4-1-2-5-20(19)35(33,34)29-12-18(32)13-30-10-3-8-24(14-30)9-11-31(15-24)23-21(17-6-7-17)22(26)27-16-28-23/h1-2,4-5,16-18,29,32H,3,6-15H2,(H2,26,27,28)/t18-,24-/m1/s1
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| InChIKey |
SELMTCIFGWTEAY-HOYKHHGWSA-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