General Information of the Compound
| Compound ID |
CP0228429
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| Compound Name |
3-[4-chloro-3-[2-[4-chloro-3-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C34H39Cl2N7O2S
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| Molecular Weight |
680.706
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NC[C@@H]1CCCN1
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| InChI |
InChI=1S/C34H39Cl2N7O2S/c35-29-9-7-25(20-24(29)6-4-23-5-8-30(36)27(19-23)33(44)39-21-26-3-1-11-38-26)32-28-22-42(34(37)45)14-10-31(28)43(40-32)13-2-12-41-15-17-46-18-16-41/h5,7-9,19-20,26,38H,1-3,10-18,21-22H2,(H2,37,45)(H,39,44)/t26-/m0/s1
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| InChIKey |
SFODVCALLDJFNP-SANMLTNESA-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