General Information of the Compound
| Compound ID |
CP0092583
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| Compound Name |
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H30F2N8O4S
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| Molecular Weight |
624.674
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(C(=O)Nc2[nH]nc3CCN(Cc23)S(=O)(=O)c2cc(F)cc(F)c2)c(NC(=O)c2ccc[nH]2)c1
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| InChI |
InChI=1S/C29H30F2N8O4S/c1-37-9-11-38(12-10-37)20-4-5-22(26(16-20)33-29(41)25-3-2-7-32-25)28(40)34-27-23-17-39(8-6-24(23)35-36-27)44(42,43)21-14-18(30)13-19(31)15-21/h2-5,7,13-16,32H,6,8-12,17H2,1H3,(H,33,41)(H2,34,35,36,40)
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| InChIKey |
OBOJCDJVZLTBDJ-UHFFFAOYSA-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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