General Information of the Compound
| Compound ID |
CP0216338
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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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C23H35N7O4S
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| Molecular Weight |
505.645
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)CN1CCC[C@@]2(CCN(C2)c2ncnc(N)c2C2CC2)C1
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| InChI |
InChI=1S/C23H35N7O4S/c1-15-20(16(2)34-28-15)35(32,33)27-10-18(31)11-29-8-3-6-23(12-29)7-9-30(13-23)22-19(17-4-5-17)21(24)25-14-26-22/h14,17-18,27,31H,3-13H2,1-2H3,(H2,24,25,26)/t18-,23-/m1/s1
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| InChIKey |
VWAPTRBPESSVKG-WZONZLPQSA-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