General Information of the Compound
| Compound ID |
CP0576867
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| Compound Name |
methyl N-[3-[3-[[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C21H29N5O4
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| Molecular Weight |
415.494
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| Canonical SMILES |
COC(=O)NCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12
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| InChI |
InChI=1S/C21H29N5O4/c1-29-21(28)24-8-3-10-25-13-15(17-4-2-7-23-19(17)25)14-26(16-5-6-16)20(27)18-12-22-9-11-30-18/h2,4,7,13,16,18,22H,3,5-6,8-12,14H2,1H3,(H,24,28)/t18-/m1/s1
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| InChIKey |
AAWDDTXQRGJVFI-GOSISDBHSA-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