General Information of the Compound
| Compound ID |
CP0084715
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| Compound Name |
5-(1H-indol-7-ylamino)-7-[[(3R)-piperidin-3-yl]amino]-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3cccc4cc[nH]c34)c12
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| InChI |
InChI=1S/C20H21N7O/c28-20-17-15(23-11-24-20)9-16(25-13-4-2-7-21-10-13)27-19(17)26-14-5-1-3-12-6-8-22-18(12)14/h1,3,5-6,8-9,11,13,21-22H,2,4,7,10H2,(H,23,24,28)(H2,25,26,27)/t13-/m1/s1
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| InChIKey |
SYCNFZSLURHSBO-CYBMUJFWSA-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