General Information of the Compound
| Compound ID |
CP0110066
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| Compound Name |
3,4-dichloro-2-cyclopropyl-1-[(3S)-piperidin-3-yl]pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C16H18Cl2N4O
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| Molecular Weight |
353.253
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| Canonical SMILES |
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1
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| InChI |
InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)/t9-/m0/s1
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| InChIKey |
DAGZBPRGFBEYDJ-VIFPVBQESA-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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